Efficient sequential assignments in proteins with reduced dimensionality 3D HN(CA)NH

We present reduced dimensionality (RD) 3D HN(CA)NH for efficient sequential assignment in proteins. The experiment correlates the N-15 and H-1 chemical shift of a residue ('i') with those of its immediate N-terminal (i - 1) and C-terminal (i + 1) neighbors and provides four-dimensional chemical shift correlations rapidly with high resolution. An assignment strategy is presented which combines the correlations observed in this experiment with amino acid type information obtained from 3D CBCA(CO)NH. By classifying the 20 amino acid types into seven distinct categories based on C-13(beta) chemical shifts, it is observed that a stretch of five sequentially connected residues is sufficient to map uniquely on to the polypeptide for sequence specific resonance assignments. This method is exemplified by application to three different systems: maltose binding protein (42 kDa), intrinsically disordered domain of insulin-like growth factor binding protein-2 and Ubiquitin. Fast data acquisition is demonstrated using longitudinal H-1 relaxation optimization. Overall, 3D HN(CA)NH is a powerful tool for high throughput resonance assignment, in particular for unfolded or intrinsically disordered polypeptides.

Retro-Proportional-Navigation: A New Guidance Law for Interception of High-Speed Targets

In this paper, a new proportional-navigation guidance law, called retro-proportional-navigation, is proposed. The guidance law is designed to intercept targets that are of higher speeds than the interceptor. This is a typical scenario in a ballistic target interception. The capture region analysis for both proportional-navigation and retro-proportional-navigation guidance laws are presented. The study shows that, at the cost of a higher intercept time, the retro-proportional-navigation guidance law demands lower terminal lateral acceleration than proportional navigation and can intercept high-velocity targets from many initial conditions that the classical proportional navigation cannot. Also, the capture region with the retro-proportional-navigation guidance law is shown to be larger compared with the classical proportional-navigation guidance law.

Use of Fick's law and Maxwell–Stefan equations in computation of multicomponent diffusion

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Power-law transformation for enhanced recognition of born-digital word images

In this paper, we discuss the issues related to word recognition in born-digital word images. We introduce a novel method of power-law transformation on the word image for binarization. We show the improvement in image binarization and the consequent increase in the recognition performance of OCR engine on the word image. The optimal value of gamma for a word image is automatically chosen by our algorithm with fixed stroke width threshold. We have exhaustively experimented our algorithm by varying the gamma and stroke width threshold value. By varying the gamma value, we found that our algorithm performed better than the results reported in the literature. On the ICDAR Robust Reading Systems Challenge-1: Word Recognition Task on born digital dataset, as compared to the recognition rate of 61.5% achieved by TH-OCR after suitable pre-processing by Yang et. al. and 63.4% by ABBYY Fine Reader (used as baseline by the competition organizers without any preprocessing), we achieved 82.9% using Omnipage OCR applied on the images after being processed by our algorithm.

Generalized distributive law for ML decoding of space-time block codes

The problem of designing good space-time block codes (STBCs) with low maximum-likelihood (ML) decoding complexity has gathered much attention in the literature. All the known low ML decoding complexity techniques utilize the same approach of exploiting either the multigroup decodable or the fast-decodable (conditionally multigroup decodable) structure of a code. We refer to this well-known technique of decoding STBCs as conditional ML (CML) decoding. In this paper, we introduce a new framework to construct ML decoders for STBCs based on the generalized distributive law (GDL) and the factor-graph-based sum-product algorithm. We say that an STBC is fast GDL decodable if the order of GDL decoding complexity of the code, with respect to the constellation size, is strictly less than M-lambda, where lambda is the number of independent symbols in the STBC. We give sufficient conditions for an STBC to admit fast GDL decoding, and show that both multigroup and conditionally multigroup decodable codes are fast GDL decodable. For any STBC, whether fast GDL decodable or not, we show that the GDL decoding complexity is strictly less than the CML decoding complexity. For instance, for any STBC obtained from cyclic division algebras which is not multigroup or conditionally multigroup decodable, the GDL decoder provides about 12 times reduction in complexity compared to the CML decoder. Similarly, for the Golden code, which is conditionally multigroup decodable, the GDL decoder is only half as complex as the CML decoder.

Extension of the universal erosive burning law to partly symmetric propellant grain geometries

This paper aims at extending the universal erosive burning law developed by two of the present authors from axi-symmetric internally burning grains to partly symmetric burning grains. This extension revolves around three dimensional flow calculations inside highly loaded grain geometry and benefiting from an observation that the flow gradients normal to the surface in such geometries have a smooth behavior along the perimeter of the grain. These are used to help identify the diameter that gives the same perimeter the characteristic dimension rather than a mean hydraulic diameter chosen earlier. The predictions of highly loaded grains from the newly chosen dimension in the erosive burning law show better comparison with measured pressure-time curves while those with mean hydraulic diameter definitely over-predict the pressures. (c) 2013 IAA. Published by Elsevier Ltd. All rights reserved.

Generalized distributive law for ML decoding of STBCs: further results

The problem of designing good Space-Time Block Codes (STBCs) with low maximum-likelihood (ML) decoding complexity has gathered much attention in the literature. All the known low ML decoding complexity techniques utilize the same approach of exploiting either the multigroup decodable or the fast-decodable (conditionally multigroup decodable) structure of a code. We refer to this well known technique of decoding STBCs as Conditional ML (CML) decoding. In [1], we introduced a framework to construct ML decoders for STBCs based on the Generalized Distributive Law (GDL) and the Factor-graph based Sum-Product Algorithm, and showed that for two specific families of STBCs, the Toepltiz codes and the Overlapped Alamouti Codes (OACs), the GDL based ML decoders have strictly less complexity than the CML decoders. In this paper, we introduce a `traceback' step to the GDL decoding algorithm of STBCs, which enables roughly 4 times reduction in the complexity of the GDL decoders proposed in [1]. Utilizing this complexity reduction from `traceback', we then show that for any STBC (not just the Toeplitz and Overlapped Alamouti Codes), the GDL decoding complexity is strictly less than the CML decoding complexity. For instance, for any STBC obtained from Cyclic Division Algebras that is not multigroup or conditionally multigroup decodable, the GDL decoder provides approximately 12 times reduction in complexity compared to the CML decoder. Similarly, for the Golden code, which is conditionally multigroup decodable, the GDL decoder is only about half as complex as the CML decoder.

Sliding mode control based guidance law with impact time constraints

In this paper, the sliding mode control based guidance laws to intercept stationary targets at a desired impact time are proposed. Then, it is extended to constant velocity targets using the notion of predicted interception. The desired impact time is achieved by selecting the interceptor's lateral acceleration to enforce a sliding mode on a switching surface designed using non-linear engagement dynamics. Numerical simulation results are presented to validate the proposed guidance law for different initial engagement geometries, impact times and salvo attack scenarios

Impact angle constraint guidance law using cubic splines for intercepting stationary targets

In this paper the cubic spline guidance law is presented for intercepting a stationary target at a desired impact angle. The guidance law is obtained from cubic spline curve based trajectory using an inverse method. The cubic spline t rajectory curve expresses the altitude as a cubic polynomial of the downrange. The guidance law is modified to achieve interception in the cases where impact angle is greater that or equal to 90◦. The guidance law is implemented in a feedback mode to maintain the desired impact angle and to reduce miss distance in the presence of lateral acceleration saturation and atmospheric distur- bances. The simulation results show that the guidance law fulfills all the requirements.

Differential evolution based 3-D guidance law for a realistic interceptor model

This paper presents a novel, soft computing based solution to a complex optimal control or dynamic optimization problem that requires the solution to be available in real-time. The complexities in this problem of optimal guidance of interceptors launched with high initial heading errors include the more involved physics of a three dimensional missile-target engagement, and those posed by the assumption of a realistic dynamic model such as time-varying missile speed, thrust, drag and mass, besides gravity, and upper bound on the lateral acceleration. The classic, pure proportional navigation law is augmented with a polynomial function of the heading error, and the values of the coefficients of the polynomial are determined using differential evolution (DE). The performance of the proposed DE enhanced guidance law is compared against the existing conventional laws in the literature, on the criteria of time and energy optimality, peak lateral acceleration demanded, terminal speed and robustness to unanticipated target maneuvers, to illustrate the superiority of the proposed law. (C) 2013 Elsevier B. V. All rights reserved.

A fast NMR method for resonance assignments: application to metabolomics

We present a new method for rapid NMR data acquisition and assignments applicable to unlabeled (C-12) or C-13-labeled biomolecules/organic molecules in general and metabolomics in particular. The method involves the acquisition of three two dimensional (2D) NMR spectra simultaneously using a dual receiver system. The three spectra, namely: (1) G-matrix Fourier transform (GFT) (3,2)D C-13, H-1] HSQC-TOCSY, (2) 2D H-1-H-1 TOCSY and (3) 2D C-13-H-1 HETCOR are acquired in a single experiment and provide mutually complementary information to completely assign individual metabolites in a mixture. The GFT (3,2)D C-13, H-1] HSQC-TOCSY provides 3D correlations in a reduced dimensionality manner facilitating high resolution and unambiguous assignments. The experiments were applied for complete H-1 and C-13 assignments of a mixture of 21 unlabeled metabolites corresponding to a medium used in assisted reproductive technology. Taken together, the experiments provide time gain of order of magnitudes compared to the conventional data acquisition methods and can be combined with other fast NMR techniques such as non-uniform sampling and covariance spectroscopy. This provides new avenues for using multiple receivers and projection NMR techniques for high-throughput approaches in metabolomics.

Anomalous power law decay in solvation dynamics of DNA: a mode coupling theory analysis of ion contribution

Several time dependent fluorescence Stokes shift (TDFSS) experiments have reported a slow power law decay in the hydration dynamics of a DNA molecule. Such a power law has neither been observed in computer simulations nor in some other TDFSS experiments. Here we observe that a slow decay may originate from collective ion contribution because in experiments DNA is immersed in a buffer solution, and also from groove bound water and lastly from DNA dynamics itself. In this work we first express the solvation time correlation function in terms of dynamic structure factors of the solution. We use mode coupling theory to calculate analytically the time dependence of collective ionic contribution. A power law decay in seen to originate from an interplay between long-range probe-ion direct correlation function and ion-ion dynamic structure factor. Although the power law decay is reminiscent of Debye-Falkenhagen effect, yet solvation dynamics is dominated by ion atmosphere relaxation times at longer length scales (small wave number) than in electrolyte friction. We further discuss why this power law may not originate from water motions which have been computed by molecular dynamics simulations. Finally, we propose several experiments to check the prediction of the present theoretical work.

Universal power law in crossover from integrability to quantum chaos

We study models of interacting fermions in one dimension to investigate the crossover from integrability to nonintegrability, i.e., quantum chaos, as a function of system size. Using exact diagonalization of finite-sized systems, we study this crossover by obtaining the energy level statistics and Drude weight associated with transport. Our results reinforce the idea that for system size L -> infinity nonintegrability sets in for an arbitrarily small integrability-breaking perturbation. The crossover value of the perturbation scales as a power law similar to L-eta when the integrable system is gapless. The exponent eta approximate to 3 appears to be robust to microscopic details and the precise form of the perturbation. We conjecture that the exponent in the power law is characteristic of the random matrix ensemble describing the nonintegrable system. For systems with a gap, the crossover scaling appears to be faster than a power law.

First and second law thermodynamic analysis of air and oxy-steam biomass gasification

Gasification is an energy transformation process in which solid fuel undergoes thermochemical conversion to produce gaseous fuel, and the two most important criteria involved in such process to evaluate the performance, economics and sustainability of the technology are: the total available energy (exergy) and the energy conserved (energy efficiency). Current study focuses on the energy and exergy analysis of the oxy-steam gasification and comparing with air gasification to optimize the H-2 yield, efficiency and syngas energy density. Casuarina wood is used as a fuel, and mixture of oxygen and steam in different proportion and amount is used as a gasifying media. The results are analysed with respect to varying equivalence ratio and steam to biomass ratio (SBR). Elemental mass balance technique is employed to ensure the validity of results. First and second law thermodynamic analysis is used towards time evaluation of energy and exergy analysis. Different component of energy input and output has been studied carefully to understand the influence of varying SBR on the availability of energy and irreversibility in the system to minimize the losses with change in input parameters for optimum performance. The energy and exergy losses (irreversibility) for oxy-steam gasification system are compared with the results of air gasification, and losses are found to be lower in oxy-steam thermal conversion; which has been argued and reasoned due to the presence of N-2 in the air-gasification. The maximum exergy efficiency of 85% with energy efficiency of 82% is achieved at SBR of 0.75 on the molar basis. It has been observed that increase in SBR results in lower exergy and energy efficiency, and it is argued to be due to the high energy input in steam generation and subsequent losses in the form of physical exergy of steam in the product gas, which alone accounts for over 18% in exergy input and 8.5% in exergy of product gas at SBR of 2.7. Carbon boundary point (CBP), is identified at the SBR of 1.5, and water gas shift (WGS) reaction plays a crucial role in H-2 enrichment after carbon boundary point (CBP) is reached. Effects of SBR and CBP on the H-2/CO ratio is analysed and discussed from the perspective of energy as well as the reaction chemistry. Energy density of syngas and energy efficiency is favoured at lower SBR but higher SBR favours H-2 rich gas at the expense of efficiency. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.