A Theoretical Study of Organotin Binding in Aromatase.

The widely used organotin compounds are notorious for their acute toxicity. Experiments revealed that organotin might cause reproductive toxicity by reversibly inhibiting animal aromatase functioning. However, the inhibition mechanism is obscure, especially at the molecular level. Compared to experimental methods, theoretical approaches via computational simulations can help to gain a microscopic view of the mechanism. Here, in an initial attempt to uncover the mechanism, we combined molecular docking and classical molecular dynamics to investigate the binding between organotins and aromatase. The energetics analysis indicated that the van der Waals interaction is the primary driving force of binding the organic tail of organotin and the aromatase center. The hydrogen bond linkage trajectory analysis revealed that water plays a significant role in linking the ligand-water-protein triangle network. As an initial step in studying the mechanism of organotin inhibiting aromatase, this work provides an in-depth understanding of the binding mechanism of organotin. Further, our study will help to develop effective and environmentally friendly methods to treat animals that have already been contaminated by organotin, as well as sustainable solutions for organotin degradation.

Experimental Measurement-Device-Independent Quantum Steering and Randomness Generation Beyond Qubits.

In a measurement-device-independent or quantum-refereed protocol, a referee can verify whether two parties share entanglement or Einstein-Podolsky-Rosen (EPR) steering without the need to trust either of the parties or their devices. The need for trusting a party is substituted by a quantum channel between the referee and that party, through which the referee encodes the measurements to be performed on that party's subsystem in a set of nonorthogonal quantum states. In this Letter, an EPR-steering inequality is adapted as a quantum-refereed EPR-steering witness, and the trust-free experimental verification of higher dimensional quantum steering is reported via preparing a class of entangled photonic qutrits. Further, with two measurement settings, we extract 1.106±0.023 bits of private randomness per every photon pair from our observed data, which surpasses the one-bit limit for projective measurements performed on qubit systems. Our results advance research on quantum information processing tasks beyond qubits.

Experimental Validation of Quantum Steering Ellipsoids and Tests of Volume Monogamy Relations.

The set of all qubit states that can be steered to by measurements on a correlated qubit is predicted to form an ellipsoid-called the quantum steering ellipsoid-in the Bloch ball. This ellipsoid provides a simple visual characterization of the initial two-qubit state, and various aspects of entanglement are reflected in its geometric properties. We experimentally verify these properties via measurements on many different polarization-entangled photonic qubit states. Moreover, for pure three-qubit states, the volumes of the two quantum steering ellipsoids generated by measurements on the first qubit are predicted to satisfy a tight monogamy relation, which is strictly stronger than the well-known monogamy of entanglement for concurrence. We experimentally verify these predictions, using polarization and path entanglement. We also show experimentally that this monogamy relation can be violated by a mixed entangled state, which nevertheless satisfies a weaker monogamy relation.

Publisher's Note: Anisotropic Invariance and the Distribution of Quantum Correlations [Phys. Rev. Lett. 118, 010401 (2017)].

This corrects the article DOI: 10.1103/PhysRevLett.118.010401.

Anisotropic Invariance and the Distribution of Quantum Correlations.

We report the discovery of two new invariants for three-qubit states which, similarly to the three-tangle, are invariant under local unitary transformations and permutations of the parties. These quantities have a direct interpretation in terms of the anisotropy of pairwise spin correlations. Applications include a universal ordering of pairwise quantum correlation measures for pure three-qubit states; trade-off relations for anisotropy, three-tangle and Bell nonlocality; strong monogamy relations for Bell inequalities, Einstein-Podolsky-Rosen steering inequalities, geometric discord and fidelity of remote state preparation (including results for arbitrary three-party states); and a statistical and reference-frame-independent form of quantum secret sharing.

Characterization of SARS-CoV-2-specific humoral immunity and associated factors in the healthy population post-vaccination.

OBJECTIVES: To investigate factors that may influence humoral immunity post-vaccination with a COVID-19-inactivated vaccine (SC2IV). METHODS: A total of 1596 healthy individuals from the Seventh Affiliated Hospital, Sun Yat-sen University (1217) and Shenzhen Baotian Hospital (379) were enrolled in this study among which 694 and 218 participants were vaccinated with two-dose SC2IV, respectively. Physical examination indices were recorded. The levels of neutralizing antibody (NA), Spike IgG, receptor-binding domain (RBD) IgG, RBD IgG + IgM + IgA, and nucleocapsid IgG of SARS-CoV-2 were measured by a non-virus ELISA kit. Multiple statistical analyses were carried out to identify factors that influence humoral immunity post-vaccination. RESULTS: The two-dosage vaccination could induce NA in more than 90 % of recipients. The NA has the strongest correlation with anti-RBD IgG. Age is the most important independent index that affects the NA level, while basophil count, creatine kinase-MB, mean corpuscular hemoglobin, the ratio of albumin to urine creatinine, and thyroglobulin antibody have relatively minor contributions. Indices that affect the NA level were different between males and females. Antibodies targeting other epitopes of SARS-CoV-2 were detected in recipients without anti-RBD. CONCLUSIONS: The factors identified in association with the NA level post-vaccination may help to evaluate the protective effect, risk of re-infection, the severity of symptoms, and prognosis for vaccine recipients in clinical.