The Optimized Conformation Dynamics of the KcsA Filter as a Probe for Lateral Membrane Effects: A First Principle Based Femto-Sec Resolution MD Study.

We provide a high resolution, all-atom, femto-second molecular dynamics (MD) simulation of the passage of K+ ions and H2O molecules through the selectivity filter of the KcsA potassium ion channel, based on first principle physical methods. Our results show that a change in the length of the selectivity filter of as little as 3%, regardless of whether the filter is made longer or shorter, will reduce the K+ ion current by around 50%. In addition, further squeezing or stretching by about 9% can effectively stop the current. Our results demonstrate optimized conformational dynamics that associate an increased mobility of parts in the filter linings with a standard configuration, leading to maximized conduction rates that are highly sensitive to geometrical distortions. We discuss this latter aspect in relation to lateral membrane effects on the filter region of ion channels and the 'force from lipids' hypothesis.

Quantum Dynamics and Non-Local Effects Behind Ion Transition States during Permeation in Membrane Channel Proteins.

We present a comparison of a classical and a quantum mechanical calculation of the motion of K+ ions in the highly conserved KcsA selectivity filter motive of voltage gated ion channels. We first show that the de Broglie wavelength of thermal ions is not much smaller than the periodic structure of Coulomb potentials in the nano-pore model of the selectivity filter. This implies that an ion may no longer be viewed to be at one exact position at a given time but can better be described by a quantum mechanical wave function. Based on first principle methods, we demonstrate solutions of a non-linear Schrödinger model that provide insight into the role of short-lived (~1 ps) coherent ion transition states and attribute an important role to subsequent decoherence and the associated quantum to classical transition for permeating ions. It is found that short coherences are not just beneficial but also necessary to explain the fast-directed permeation of ions through the potential barriers of the filter. Certain aspects of quantum dynamics and non-local effects appear to be indispensable to resolve the discrepancy between potential barrier height, as reported from classical thermodynamics, and experimentally observed transition rates of ions through channel proteins.

Experimental Test of Residual Error-Disturbance Uncertainty Relations for Mixed Spin-½ States.

The indeterminacy inherent in quantum measurements is an outstanding character of quantum theory, which manifests itself typically in the uncertainty principle. In the last decade, several universally valid forms of error-disturbance uncertainty relations were derived for completely general quantum measurements for arbitrary states. Subsequently, Branciard established a form that is optimal for spin measurements for some pure states. However, the bound in his inequality is not stringent for mixed states. One of the present authors recently derived a new bound tight in the corresponding mixed state case. Here, a neutron-optical experiment is carried out to investigate this new relation: it is tested whether error and disturbance of quantum measurements disappear or persist in mixing up the measured ensemble. The attainability of the new bound is experimentally observed, falsifying the tightness of Branciard's bound for mixed spin states.

Erratum: Experimental Test of Entropic Noise-Disturbance Uncertainty Relations for Spin-1/2 Measurements [Phys. Rev. Lett. 115, 030401 (2015)].

This corrects the article DOI: 10.1103/PhysRevLett.115.030401.

Photon exchange and entanglement formation during transmission through a rectangular quantum barrier.

When a quantum particle traverses a rectangular potential created by a quantum field both photon exchange and entanglement between particle and field take place. We present the full analytic solution of the Schrödinger equation of the composite particle-field system allowing investigation of these phenomena in detail and comparison to the results of a classical field treatment. Besides entanglement formation, remarkable differences also appear with respect to the symmetry between energy emission and absorption, resonance effects and if the field initially occupies the vacuum state.

Experimental Test of Entropic Noise-Disturbance Uncertainty Relations for Spin-1/2 Measurements.

Information-theoretic definitions for noise and disturbance in quantum measurements were given in [Phys. Rev. Lett. 112, 050401 (2014)] and a state-independent noise-disturbance uncertainty relation was obtained. Here, we derive a tight noise-disturbance uncertainty relation for complementary qubit observables and carry out an experimental test. Successive projective measurements on the neutron's spin-1/2 system, together with a correction procedure which reduces the disturbance, are performed. Our experimental results saturate the tight noise-disturbance uncertainty relation for qubits when an optimal correction procedure is applied.