Molecular Dynamics-Based Strength Estimates of Beta-Solenoid Proteins

The use of beta-solenoid proteins as functionalizable, nanoscale, self-assembling molecular building blocks may have many applications, including templating the growth of wires or higher-dimensional structures. By understanding their mechanical strengths, we can efficiently design the proteins for specific functions. We present a study of the mechanical properties of seven beta-solenoid proteins using GROMACS molecular dynamics software to produce force/torque-displacement data, implement umbrella sampling of bending/twisting trajectories, produce Potentials of Mean Force (PMFs), extract effective spring constants, and calculate rigidities for two bending and two twisting directions for each protein. We examine the differences between computing the strength values from force/torque-displacement data alone and PMF data, and show how higher precision estimates can be obtained from the former. In addition to the analysis of the methods, we report estimates for the bend/twist persistence lengths for each protein, which range from 0.5-3.4 $\mu$m. We note that beta-solenoid proteins with internal disulfide bridges do not enjoy enhanced bending or twisting strength, and that the strongest correlate with bend/twist rigidity is the number of hydrogen bonds per turn. In addition, we compute estimates of the Young's modulus ($Y$) for each protein, which range from $Y$ = 3.5 to 7.2 GPa

Information-theoretic lower bounds on the oracle complexity of stochastic convex optimization

Relative to the large literature on upper bounds on complexity of convex optimization, lesser attention has been paid to the fundamental hardness of these problems. Given the extensive use of convex optimization in machine learning and statistics, gaining an understanding of these complexity-theoretic issues is important. In this paper, we study the complexity of stochastic convex optimization in an oracle model of computation. We improve upon known results and obtain tight minimax complexity estimates for various function classes

Limited Failure Censored Life Test Sampling Plan in Burr Type X Distribution

The Burr type X distribution is considered as a life time random variable of a product whose lots are to be decided for acceptance or otherwise on the basis of sample lifetimes drawn from the lot. The sample is divided into various groups in order to develop a group sampling plan in such a way that the life testing experiment is terminated as soon as the first failure in each group is observed. The acceptance criterion based on the theory of order statistics is proposed and is shown to be more economical than a criterion proposed in the earlier similar works

Screening of seaweed extracts against antibiotic resistant post operative infectious pathogens

Fifty five seaweed extracts belonging to 11 species of seaweeds were tested against post operative infectious drug resistant bacteria viz., E. coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, Streptococcus pyogens, Staphylococcus aureus. Among the seaweed extracts, the acetone extracts of Caulerpa cupressoides shows maximum inhibtory activity against E. coli and propanol extracts of Gracilaria edulis shows maximum inhibitory effect against K. pneumoniae. Acetone extracts of Padina tetrastromatica and Laurencia cruciata show maximum inhibitory activity against P. aeruginosa, butanol extracts of Hypnea musciformis, Caulerpa cupressoides and Chaetomorpha linoides show maximum inhibitory effect against S. aureus

Superconductivity-driven magnetization modulation in YBa2Cu3O7-{\delta} /SrTiO3/La0.67Sr0.33MnO3 heterostructures

Using spin polarized neutron reflectivity experiments, we demonstrate an unusual proximity behaviour when the superconductor (SC) and the ferromagnet (FM) are coupled through an insulator (I) in YBa2Cu3O7-{\delta} (SC)/SrTiO3 (I)/La0.67Sr0.33MnO3 (FM) heterostructures. We have observed an unexpected magnetic modulation at the interface region of the FM below the superconducting transition temperature. The magnetization of the FM layer at the I/FM interface was drastically reduced as compared to the magnetization in the rest of the FM layer. This result indicates that the Cooper pairs tunnel across the insulator and interact with the local magnetization at the interface region (extending ~ 30 {\AA}) of the FM causing modification of the magnetization at the interface. This unexpected magnetic behavior cannot be explained on the basis of the existing theoretical models. However, the length scale associated here clearly suggests the long range proximity effect as a result of tunneling of Cooper pairs.Comment: 6 figure

Stable and Metastable vortex states and the first order transition across the peak effect region in weakly pinned 2H-NbSe_2

The peak effect in weakly pinned superconductors is accompanied by metastable vortex states. Each metastable vortex configuration is characterized by a different critical current density J_c, which mainly depends on the past thermomagnetic history of the superconductor. A recent model [G. Ravikumar, et al, Phys. Rev. B 61, R6479 (2000)] proposed to explain the history dependent J_c postulates a stable state of vortex lattice with a critical current density J_c^{st}, determined uniquely by the field and temperature. In this paper, we present evidence for the existence of the stable state of the vortex lattice in the peak effect region of 2H-NbSe_2. It is shown that this stable state can be reached from any metastable vortex state by cycling the applied field by a small amplitude. The minor magnetization loops obtained by repeated field cycling allow us to determine the pinning and "equilibrium" properties of the stable state of the vortex lattice at a given field and temperature unambiguously. The data imply the occurence of a first order phase transition from an ordered phase to a disordered vortex phase across the peak effect.Comment: 20 pages, 10 figures. Corresponding author: S. Ramakrishna

Evaluation of a long-time temperature drift in a commercial Quantum Design MPMS SQUID magnetometer using Gd2_2O3_3 as a standard

The long-time temperature drift in a commercial Quantum Design MPMS SQUID magnetometer was evaluated using time-dependent magnetization measurements of Gd$_2$O$_3$. In contrast to earlier claims, the amplitude of the drift was found not to exceed 1-1.5 K. 30 minutes after system stabilization the temperature deviation did not exceed 0.2 K and the temperature was fully stabilized in less than 3 hours

Estimation and Testing in Type I Generalized Half Logistic Distribution

A generalization of the half logistic distribution is developed through exponentiation of its cumulative distribution function and termed the Type I Generalized Half Logistic Distribution (GHLD). GHLD’s distributional characteristics and parameter estimation using maximum likelihood and modified maximum likelihood methods are presented with comparisons. Comparison of Type I GHLD and the exponential distribution is conducted via likelihood ratio criterion

Dynamic pricing models for electronic business

Dynamic pricing is the dynamic adjustment of prices to consumers depending upon the value these customers attribute to a product or service. Today’s digital economy is ready for dynamic pricing; however recent research has shown that the prices will have to be adjusted in fairly sophisticated ways, based on sound mathematical models, to derive the benefits of dynamic pricing. This article attempts to survey different models that have been used in dynamic pricing. We first motivate dynamic pricing and present underlying concepts, with several examples, and explain conditions under which dynamic pricing is likely to succeed. We then bring out the role of models in computing dynamic prices. The models surveyed include inventory-based models, data-driven models, auctions, and machine learning. We present a detailed example of an e-business market to show the use of reinforcement learning in dynamic pricing