Structure Engineering of BiSbSx Nanocrystals Embedded within Sulfurized Polyacrylonitrile Fibers for High Performance of Potassium-Ion Batteries.

Potassium-ion batteries (PIBs) are regarded as promising candidates in next-generation energy storage technology; however, the electrode materials in PIBs are usually restricted by the shortcomings of large volume expansion and poor cycling stability stemming from a high resistance towards diffusion and insertion of large-sized K ions. In this study, BiSbSx nanocrystals are rationally integrated with sulfurized polyacrylonitrile (SPAN) fibres through electrospinning technology with an annealing process. Such a unique structure, in which BiSbSx nanocrystals are embedded inside the SPAN fibre, affords multiple binding sites and a short diffusion length for K+ to realize fast kinetics. In addition, the molecular structure of SPAN features robust chemical interactions for stationary diffluent discharge products. Thus, the electrode demonstrates a superior potassium storage performance with an excellent reversible capacity of 790 mAh g-1 (at 0.1 A g-1 after 50 cycles) and 472 mAh g-1 (at 1 A g-1 after 2000 cycles). It's one of the best performances for metal dichalcogenides anodes for PIBs to date. The unusual performance of the BiSbSx @SPAN composite is attributed to the synergistic effects of the judicious nanostructure engineering of BiSbSx nanocrystals as well as the chemical interaction and confinement of SPAN fibers.

Sb-Doped metallic 1T-MoS2 nanosheets embedded in N-doped carbon as high-performance anode materials for half/full sodium/potassium-ion batteries.

Metal 1T phase molybdenum disulfide (1T-MoS2) is being actively considered as a promising anode due to its high conductivity, which can improve electron transfer. Herein, we elaborately designed stable Sb-doped metallic 1T phase molybdenum sulfide (1T-MoS2-Sb) with a few-layered nanosheet structure via a simple calcination technique. The N-doping of the carbon and Sb-doping induce the formation of T-phase MoS2, which not only effectively enhances the entire stability of the structure, but also improves its cycling performance and stability. When employed as an anode of sodium-ion batteries (SIBs), 1T-MoS2-Sb exhibits a reversible capacity of 493 mA h g-1 at 0.1 A g-1 after 100 cycles and delivers prominent long-term performance (253 mA h g-1 at 1 A g-1 after 2200 cycles) along with decent rate capability. Paired with a Na3V2(PO4)3 cathode, it displays a superior capacity of 242 mA h g-1 at 0.5 A g-1 over 100 cycles, which is one of the best performances of a MoS2-based full cell for SIBs. Employed as the anode for potassium-ion batteries (PIBs), it exhibits a satisfactory specific capacity of 343 mA h g-1 at 0.1 A g-1 after 100 cycles. This facile strategy will provide new insights for designing T-phase advanced anode materials for SIBs/PIBs.

Differential Interactions between Human ACE2 and Spike RBD of SARS-CoV-2 Variants of Concern.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of the current coronavirus disease 2019 (COVID-19) pandemic. It is known that the receptor-binding domain (RBD) of the spike protein of SARS-CoV-2 interacts with the human angiotensin-converting enzyme 2 (ACE2) receptor, initiating the entry of SARS-CoV-2. Since its emergence, a number of SARS-CoV-2 variants have been reported, and the variants that show high infectivity are classified as variants of concern according to the United States Centers for Disease Control and Prevention. In this study, we performed both all-atom steered molecular dynamics (SMD) simulations and microscale thermophoresis (MST) experiments to characterize the binding interactions between ACE2 and RBD of all current variants of concern (Alpha, Beta, Gamma, and Delta) and two variants of interest (Epsilon and Kappa). We report that RBD of the Alpha (N501Y) variant requires the highest amount of force initially to be detached from ACE2 due to the N501Y mutation in addition to the role of N90-glycan, followed by Beta/Gamma (K417N/T, E484 K, and N501Y) or Delta (L452R and T478 K) variants. Among all variants investigated in this work, RBD of the Epsilon (L452R) variant is relatively easily detached from ACE2. Our results from both SMD simulations and MST experiments indicate what makes each variant more contagious in terms of RBD and ACE2 interactions. This study could shed light on developing new drugs to inhibit SARS-CoV-2 entry effectively.

Differential Interactions Between Human ACE2 and Spike RBD of SARS-CoV-2 Variants of Concern.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of the current coronavirus disease 2019 (COVID-19) pandemic. It is known that the receptor-binding domain (RBD) of the spike protein of SARS-CoV-2 interacts with the human angiotensin-converting enzyme 2 (ACE2) receptor, initiating the entry of SARS-CoV-2. Since its emergence, a number of SARS-CoV-2 variants have been reported, and the variants that show high infectivity are classified as the variants of concern according to the US CDC. In this study, we performed both all-atom steered molecular dynamics (SMD) simulations and microscale thermophoresis (MST) experiments to characterize the binding interactions between ACE2 and RBD of all current variants of concern (Alpha, Beta, Gamma, and Delta) and two variants of interest (Epsilon and Kappa). We report that the RBD of the Alpha (N501Y) variant requires the highest amount of force initially to be detached from ACE2 due to the N501Y mutation in addition to the role of N90-glycan, followed by Beta/Gamma (K417N/T, E484K, and N501Y) or Delta (L452R and T478K) variant. Among all variants investigated in this work, the RBD of the Epsilon (L452R) variant is relatively easily detached from ACE2. Our results combined SMD simulations and MST experiments indicate what makes each variant more contagious in terms of RBD and ACE2 interactions. This study could help develop new drugs to inhibit SARS-CoV-2 entry effectively.