Extended Ensemble Molecular Dynamics for Thermodynamics of Phases

The first-order phase transitions and related thermodynamics properties are primary concerns of materials sciences and engineering. In traditional atomistic simulations, the phase transitions and the estimation of their thermodynamic properties are challenging tasks because the trajectories get trapped in local minima close to the initial states. In this study, we investigate various extended ensemble molecular dynamics (MD) methods based on the multicanonical ensemble method using the Wang-Landau (WL) approach. We performed multibaric-multithermal (MBMT) method to fluid phase, gas-liquid transition, and liquid-solid transition of the Lennard-Jones (LJ) system. The derived thermodynamic properties of the fluid phase and the gas-liquid transition from the MBMT agree well with the previously reported equation of states (EOSs). However, the MBMT cannot correctly predict the liquid-solid transition. The multiorder-multithermal (MOMT) ensemble shows significantly enhanced sampling between liquid and solid states with an accurate estimation of transition temperatures. We further investigated the dynamics of each system based on their free energy shapes, providing fundamental insights for their sampling behaviors. This study guides the prediction of broader crystalline materials, e.g., alloys, for their phases and thermodynamic properties from atomistic modeling

Electroactive Artificial Muscles Based on Functionally Antagonistic Core–Shell Polymer Electrolyte Derived from PS-b-PSS Block Copolymer

Electroactive ionic soft actuators, a type of artificial muscles containing a polymer electrolyte membrane sandwiched between two electrodes, have been intensively investigated owing to their potential applications to bioinspired soft robotics, wearable electronics, and active biomedical devices. However, the design and synthesis of an efficient polymer electrolyte suitable for ion migration have been major challenges in developing high-performance ionic soft actuators. Herein, a highly bendable ionic soft actuator based on an unprecedented block copolymer is reported, i.e., polystyrene-b-poly(1-ethyl-3-methylimidazolium-4-styrenesulfonate) (PS-b-PSS-EMIm), with a functionally antagonistic core–shell architecture that is specifically designed as an ionic exchangeable polymer electrolyte. The corresponding actuator shows exceptionally good actuation performance, with a high displacement of 8.22 mm at an ultralow voltage of 0.5 V, a fast rise time of 5 s, and excellent durability over 14 000 cycles. It is envisaged that the development of this high-performance ionic soft actuator could contribute to the progress toward the realization of the aforementioned applications. Furthermore, the procedure described herein can also be applied for developing novel polymer electrolytes related to solid-state lithium batteries and fuel cells

IRT5 Probiotics Changes Immune Modulatory Protein Expression in the Extraorbital Lacrimal Glands of an Autoimmune Dry Eye Mouse Model

PURPOSE. While the association between the gut microbiome and the immune system has been studied in autoimmune disorders, little is known about ocular disease. Previously we reported that IRT5, a mixture of five probiotic strains, could suppress autoimmune dry eye. In this study, we investigated the mechanism by which IRT5 performs its immunomodulatory function in a mouse model of autoimmune dry eye. METHODS. NOD.B10.H2b mice were used as an autoimmune dry eye model. Either IRT5 or PBS was gavaged orally for 3 weeks, with or without 5 days of antibiotic pretreatment. The effects on clinical features, extraorbital lacrimal gland and spleen proteins, and fecal microbiota were analyzed. RESULTS. The ocular staining score was lower, and tear secretion was higher, in the IRT5-treated groups than in the PBS-treated groups. After IRT5 treatment, the downregulated lacrimal gland proteins were enriched in the biological processes of defense response and immune system process. The relative abundances of 33 operational taxonomic units were higher, and 53 were lower, in the feces of the IRT5-treated groups than in those of the PBS-treated groups. IRT5 administration without antibiotic pretreatment also showed immunomodulatory functions with increases in the Lactobacillus helveticus group and Lactobacillus hamsteri. Additional proteomic assays revealed a decrease of proteins related to antigen-presenting processes in the CD11b(+) and CD11c(+) cells of spleen in the IRT5-treated groups. CONCLUSIONS. Changes in the gut microbiome after IRT5 treatment improved clinical manifestations in the autoimmune dry eye model via the downregulation of antigen-presenting processes in immune networks.11Ysciescopu

Staging of Alzheimer's Pathology in Triple Transgenic Mice: A Light and Electron Microscopic Analysis

The age-related pathological cascade underlying intraneuronal tau formation in 3xTg-AD mice, which harbor the human APPSwe, PS1M126V , and TauP301L gene mutations, remains unclear. At 3 weeks of age, AT180, Alz50, MC1, AT8, and PHF-1 intraneuronal immunoreactivity appeared in the amygdala and hippocampus and at later ages in the cortex of 3xTg-AD mice. AT8 and PHF-1 staining was fixation dependent in young mutant mice. 6E10 staining was seen at all ages. Fluorescent immunomicroscopy revealed CA1 neurons dual stained for 6E10 and Alz50 and single Alz50 immunoreactive neurons in the subiculum at 3 weeks and continuing to 20 months. Although electron microscopy confirmed intraneuronal cytoplasmic Alz50, AT8, and 6E10 reaction product in younger 3xTg-AD mice, straight filaments appeared at 23 months of age in female mice. The present data suggest that other age-related biochemical mechanisms in addition to early intraneuronal accumulation of 6E10 and tau underlie the formation of tau filaments in 3xTg-AD mice

Cell-free synthesis of functional phospholipase A1 from Serratia sp.

Additional file 1: Figure S1 Gas chromatography analysis of sesame oil incubated with cell-free synthesized PLA1

5′-Triphosphate-RNA-independent activation of RIG-I via RNA aptamer with enhanced antiviral activity

RIG-I is a cytosolic receptor for non-self RNA that mediates immune responses against viral infections through IFNα/β production. In an attempt to identify novel tools that modulate IFNα/β production, we used SELEX technology to screen RNA aptamers that specifically target RIG-I protein. Most of the selected RIG-I aptamers contained polyU motifs in the second half regions that played critical roles in the activation of RIG-I-mediated IFNβ production. Unlike other known ligands, RIG-I aptamer bound and activated RIG-I in a 5′-triphosphate-independent manner. The helicase and RD domain of RIG-I were used for aptamer binding, but intact RIG-I protein was required to exert aptamer-mediated signaling activation. Furthermore, replication of NDV, VSV and influenza virus in infected host cells was efficiently blocked by pre- or post-treatment with RIG-I aptamer. Based on these data, we propose that RIG-I aptamer has strong potential to be an antiviral agent that specifically boosts the RIG-I-dependent signaling cascade

Unidirectional emission from a cardioid-shaped microcavity laser

We find unidirectional emission in a cardioid-shaped microcavity laser. When a deformation parameter is well adjusted, rays starting around a period-5 unstable periodic orbit emit unidirectionally. To confirm the emission direction, we fabricate a laser by using an InGaAsP semiconductor and investigate emission characteristics. When the laser is excited by current injection with a dc current, resonances localized on the period-5 unstable periodic orbit emit unidirectionally. © 2016 Optical Society of America.1

Cultivating Spirulina maxima: Innovative Approaches

This chapter reports an annual production of Spirulina (Arthrospira) maxima in Ansan, South Korea (37.287°N, 126.833°E) with temperate four seasons climate for testing industrial application. Construction on pilot plant of semi-open raceway system (ORS) with each 20 ton culture volume has been established in early 2011 based on building information modeling (BIM). An optimized design of pilot culture system for microalgae scale-up culture in temperate area and details of culture was presented. In scale-up trials using two ORSs, the strain displayed satisfactory annual growth under batch condition. In an annual trial, average biomass concentration was recorded at 0.99 ± 0.16 g/L, which showed stable productivity in a year. Maximum concentration was estimated at 1.418 ± 0.09 g/L in August, while minimum production was estimated at 0.597 ± 0.05 g/L in October. Despite insufficient solar radiation and nutrients, ORS was favorable for S. maxima production. The technical strategies contribute to the annual production of S. maxima in this region: controlling the culture temperature, reducing production cost, and retrospective climatic data-based BIM construction of the greenhouse. Consequently, pilot production of S. maxima was feasible in Korean climates, a region previously thought to be outside its geographic limits