Structure revision of the recently characterized natural products, decurrensides A-E, is described. The revision is aided by fast and accurate computations of proton spin-spin coupling constants. While the (13)C chemical shifts calculations could reveal the misassignment of the original structures, the calculated spin coupling constants possess much higher structural information content, inform...

This paper investigates the hypothesis that the motivational system of an autonomous agent should be operationally coupled with the world it is situated in. Operational coupling is structural coupling plus explicit representation of problem parameters that are observable and adjustable and relies on the definition of regulatory, inter-dependent innate desires. This coupling is such that the age...

We show that a resonant response with very high quality factors can be achieved in periodic metamaterials by radiatively coupling their structural elements. The coupling is mediated by lattice modes and can be efficiently controlled by tuning the lattice periodicity. Using a recently developed terahertz (THz) near-field imaging technique and conventional far-field spectroscopy together with num...

That very strong coupling of the B-B bond-stretching E2g branch of phonons to the B 2pσ bonding hole states is responsible for the remarkable superconductivity in MgB2 is well established. This entirely new manner of driving the superconducting Tc to high levels requires additional analysis. Here recent findings, such as how this strong coupling is related to possible structural instability, ar...

This study presents a designing process for refurbishing of a 32 MW rotor-generator damaged coupling. The reason of rotor damage was being hit by the quivers of an explosion. The original coupling was union with the rotor formed after a machining process on a mono block forged rotor. In some areas imposed damages caused the breaking off and detachment of some parts in the coupling flange. Becau...

NOTE: This position paper has been coordinated among the software specialists of certification authorities from the United States, Europe, and Canada. However, it does not constitute official policy or guidance from any of the authorities. This document is provided for educational and informational purposes only and should be discussed with the appropriate certification authority when consideri...

Origin of life theories often argue that molecular self-organization explains the spontaneous emergence of structural and dynamical constraints. However, the preservation of these constraints over time is not well-explained because of the self-undermining and self-limiting nature of these same processes. A process called autogenesis has been proposed in which negative structural coupling betwee...

density functional theory (dft) based calculations have been performed to examine the relaxations of tautomers of 4–hydroxy–6–methylpyridin–2(1h)–one (mpo), as a representative of pyridinone derivatives, at the fullerene (c60) surfaces. optimized molecular properties including energies, dipole moments and atomic scale quadrupole coupling constants (cq) have been evaluated to investigate the str...

Hydrogen bond networks are key elements of biological structure and function. Nevertheless, their structural properties are challenging to assess within complex macromolecules. Hydrogen-bonded protons are not observed in the vast majority of protein X-ray structures, and static crystallographic models provide limited information regarding the dynamical coupling within hydrogen bond networks. We...

In data-based reconstruction of complex networks, dynamical information can be measured and exploited to generate a functional network, but is it a true representation of the actual (structural) network? That is, when do the functional and structural networks match and is a perfect matching possible? To address these questions, we use coupled nonlinear oscillator networks and investigate the tr...