On the origin of residual dipolar couplings from denatured proteins

Effects of steric obstruction on random flight chains are examined. Spatial probability distributions are elaborated to calculate residual dipolar couplings and residual chemical shift anisotropy, parameters that are acquired by NMR spectroscopy from solutes dissolved in dilute liquid crystals. Calculations yield chain length and residue position-dependent values in good agreement with simulations to provide understanding of recently acquired data from denatured proteins.     

On the interpretation of residual dipolar couplings as reporters of molecular dynamics

The analysis of residual dipolar couplings from an ensemble of conformations to extract molecular dynamics is intricate. The very mechanism that is necessary to perturb overall molecular tumbling to generate nonvanishing residual dipolar couplings gives rise to convoluted data. The measured values are essentially weighted averages over conformations. However, the weights are not simply the populations of conformations. Consequently, the observed order parameter is not exactly the true measure of motion. In the case of paramagnetic alignment, the apparent order parameter is expected to depend on the number of torsions that separate the locus of interest from the paramagnetic site. In the case of alignment due to steric obstruction, the uneven selection of conformations by their differing Saupe order matrices leads to a bias in the residual dipolar couplings-probed molecular dynamics.     

A multilayer coated fiber-based substrate suitable for printed functionality

A recyclable multilayer coated fiber-based substrate combining sufficient barrier and printability properties for printed functional devices was developed using reel-to-reel techniques. The substrate consists of a mineral pigment layer coated on top of a barrier latex layer. The pigment layer allows controlled absorption of ink solvents. By adjusting the thickness and porosity of the top coating the printability can be tuned for various functional inks. As a proof of concept a hygroscopic insulator field effect transistor (HIFET) was successfully printed on the multilayer-coated paper.     

Efficient decomposition of quantum gates

Optimal implementation of quantum gates is crucial for designing a quantum computer. We consider the matrix representation of an arbitrary multiqubit gate. By ordering the basis vectors using the Gray code, we construct the quantum circuit which is optimal in the sense of fully controlled single-qubit gates and yet is equivalent with the multiqubit gate. In the second step of the optimization, superfluous control bits are eliminated, which eventually results in a smaller total number of the elementary gates. In our scheme the number of controlled NOT gates is O(4(n)) which coincides with the theoretical lower bound.     

Relation between the neutrino and quark mixing angles and grand unification

We argue that there exists a simple relation between the quark and lepton mixings, which supports the idea of grand unification and probes the underlying robust bimaximal fermion mixing structure of still unknown flavor physics. In this framework the quark mixing matrix is a parameter matrix describing the deviation of neutrino mixing from exactly bimaximal, predicting theta(sol)+theta(C)=pi/4, where theta(C) is the Cabibbo angle, theta(atm)+theta(CKM)(23)=pi/4 and theta(MNS)(13) approximately theta(CKM)(13) approximately O(lambda(3)), in perfect agreement with experimental data. Both non-Abelian and Abelian flavor symmetries are needed for such a prediction to be realistic. An example flavor model capable of explaining this flavor mixing pattern and inducing the measured quark and lepton masses is outlined.     

Notes on the complexity of sorting in abstract machines

The complexity of sorting with pointer machines and successor-predecessor random access machines is studied. The size of the problem is defined as the length of the problem string. A linear time algorithm is achieved for sorting by pointer machines. For successor-predecessor random access machines linear time is sufficient in a special case.     

NP-completeness of the hamming salesman problem

It is shown that the traveling salesman problem, where cities are bit strings with Hamming distances, is NP-complete.     

Photoabsorption spectra of boron nitride fullerenelike structures

Optical absorption spectra have been calculated for a series of boron nitride fullerenelike cage structures BnNn of sizes n=12-36. The method used is a real-time, real-space implementation of the time-dependent density-functional theory, involving the full time propagation of the time-dependent Kohn-Sham equations. The spectra are found to be a possible tool for distinguishing between different boron nitride fullerene species and isomers. The trends and differences in the spectra are found to be related to the general geometry of the molecules. Comparison between local-density and generalized-gradient approximations for electron exchange-correlation functionals shows that both of them produce essentially the same spectral characteristics.     

Prospects for constrained supersymmetry at $$\sqrt{s}={33}\,\text {TeV} $$ and $$\sqrt{s}={100}\,\text {TeV} $$ proton–proton super-colliders

Successful models of pure gravity mediation (PGM) with radiative electroweak symmetry breaking can be expressed with as few as two free parameters, which can be taken as the gravitino mass and \(\tan \beta \) . These models easily support a 125–126 GeV Higgs mass at the expense of a scalar spectrum in the multi-TeV range and a much lighter wino as the lightest supersymmetric particle. In these models, it is also quite generic that the Higgs mixing mass parameter, \(\mu \) , which is determined by the minimization of the Higgs potential is also in the multi-TeV range. For \(\mu >0\) , the thermal relic density of winos is too small to account for the dark matter. The same is true for \(\mu <0\) unless the gravitino mass is of order 500 TeV. Here, we consider the origin of a multi-TeV \(\mu \) parameter arising from the breakdown of a Peccei–Quinn (PQ) symmetry. A coupling of the PQ-symmetry breaking field, \(P\) , to the MSSM Higgs doublets, naturally leads to a value of \(\mu \sim \langle P \rangle ^2 /M_P \sim {\mathcal O}(100)\) TeV and of the order that is required in PGM models. In this case, axions make up the dark matter or some fraction of the dark matter with the remainder made up from thermal or non-thermal winos. We also provide solutions to the problem of isocurvature fluctuations with axion dark matter in this context.