Flexible machine-learning interatomic potential for simulating structural disordering behavior of LiLaZrO solid electrolytes.

Batteries based on solid-state electrolytes, including LiLaZrO (LLZO), promise improved safety and increased energy density; however, atomic disorder at grain boundaries and phase boundaries can severely deteriorate their performance. Machine-learning (ML) interatomic potentials offer a uniquely compelling solution for simulating chemical processes, rare events, and phase transitions associated with these complex interfaces by mixing high scalability with quantum-level accuracy, provided that they can be trained to properly address atomic disorder. To this end, we report the construction and validation of an ML potential that is specifically designed to simulate crystalline, disordered, and amorphous LLZO systems across a wide range of conditions.

Dynamics of Hydroxyl Anions Promotes Lithium Ion Conduction in Antiperovskite LiOHCl.

LiOHCl is an exemplar of the antiperovskite family of ionic conductors, for which high ionic conductivities have been reported, but in which the atomic-level mechanism of ion migration is unclear. The stable phase is both crystallographically defective and disordered, having ∼1/3 of the Li sites vacant, while the presence of the OH anion introduces the possibility of rotational disorder that may be coupled to cation migration. Here, complementary experimental and computational methods are applied to understand the relationship between the crystal chemistry and ionic conductivity in LiOHCl, which undergoes an orthorhombic to cubic phase transition near 311 K (≈38 °C) and coincides with the more than a factor of 10 change in ionic conductivity (from 1.

Rapidly Declining SARS-CoV-2 Antibody Titers within 4 Months after BNT162b2 Vaccination.

The efficacy and safety of the BNT162b2 vaccine are known, but antibodies are expected to decrease over time after vaccination. We collected blood samples from 104 fully vaccinated health care workers at 3 and 5 weeks after first vaccination and 4 months after second vaccination. Antibody titers and neutralizing antibodies were measured.

Synthesis of Antiperovskite Solid Electrolytes: Comparing LiSI, NaSI, and AgSI.

Prior calculations have predicted that chalcohalide antiperovskites may exhibit enhanced ionic mobility compared to oxyhalide antiperovskites as solid-state electrolytes. Here, the synthesis of Ag-, Li-, and Na-based chalcohalide antiperovskites is investigated using first-principles calculations and synchrotron X-ray diffraction. These techniques demonstrate that the formation of AgSI is facilitated by the adoption of a common body centered cubic packing of S and I in the reactants and products at elevated temperatures, with additional stabilization achieved by the formation of a solid solution of the anions.

Impact of Lifestyle Intervention for Patients with Prostate Cancer.

Androgen-deprivation therapy (ADT) for prostate cancer (PCa) is associated with reduced physical function and quality of life (QoL). We investigated the impact of a structured lifestyle intervention on the promotion of physical activity (PA) and reduction of sedentary behavior (SB), and its effect on QoL in men on ADT. Patients with advanced PCa on long-term ADT were randomized to the intervention (N = 11) or a control arm (N = 10) between February 2018 and May 2019.

Predicting Wettability and the Electrochemical Window of Lithium-Metal/Solid Electrolyte Interfaces.

The development of solid electrolytes (SEs) is expected to enhance the safety of lithium-ion batteries. Additionally, a viable SE could allow the use of a Li-metal negative electrode, which would increase energy density. Recently, several antiperovskites have been reported to exhibit high ionic conductivities, prompting investigations of their use as an SE.

Varicella and varicella vaccination in South Korea.

With continuing occurrence of varicella despite increasing vaccine coverage for the past 20 years, a case-based study, a case-control study, and an immunogenicity and safety study were conducted to address the impact of varicella vaccination in South Korea. Varicella patients under the age of 16 years were enrolled for the case-based study. For the case-control study, varicella patients between 12 months and 15 years of age were enrolled with one control matched for each patient.

Immunogenicity, reactogenicity and safety of a human rotavirus vaccine (RIX4414) in Korean infants: a randomized, double-blind, placebo-controlled, phase IV study.

Rotavirus (RV) infection is the primary cause for childhood gastroenteritis worldwide. In Korea, RV infection is most common among children less than 5 years of age. This post-licensure study was conducted to further evaluate the RV vaccine (RIX4414) to provide additional local clinical data to the Korean Food and Drug Association.

Response to primary and booster vaccination with 10-valent pneumococcal nontypeable Haemophilus influenzae protein D conjugate vaccine in Korean infants.

Background: This randomized single-blind study in Korea evaluated noninferiority of the 10-valent pneumococcal nontypeable Haemophilus influenzae protein D conjugate vaccine (PHiD-CV) versus the 7-valent pneumococcal conjugate vaccine (7vCRM) when both were coadministered with H. influenzae type b (Hib) conjugate vaccine, as opposed to coadministration with diphtheria-tetanus-acellular pertussis-based combination vaccines in previous studies.

Methods: Infants received 3 primary doses at 2, 4, and 6 months and a booster dose at 12 to 18 months of PHiD-CV (N = 374) or 7vCRM (N = 129), both coadministered with Hib vaccine.