Visualization1.mp4

Dynamic experimental results for living yeast cell

Density Functional Theory-Assisted Microkinetic Analysis of Methane Dry Reforming on Ni Catalyst

A comprehensive microkinetic model based on density functional theory (DFT) calculations is constructed to explore the reaction mechanism for dry methane reforming on Ni catalyst. Three low-index facets, namely, Ni(111), Ni(100), and Ni(211), are utilized to represent the contributions from the flat, open, and stepped surfaces. Adsorption energies of all the possible reaction intermediates as well as activation energies for the elementary reactions involved in dry reforming of methane on the three Ni surfaces are calculated through DFT. These results are further employed to estimate the rate constants for the elementary reactions under realistic temperatures and pressures within the framework of transition state theory and statistical mechanics treatments. The dominant reaction pathway is identified as CH₄ successive dissociation followed by carbon oxidation by atomic oxygen. The dependence of the rate-determining step on operating conditions is examined. At low CH₄ and CO₂ partial pressures, both CH₄ dissociative adsorption and carbon oxidation would jointly dominate the overall reaction rate, while at high pressures carbon oxidation is suggested as the rate-determining step for the DRM reaction. Our findings provide a rational interpretation of contradictory experimental observations

Selective Oxidation of Hydrogen in the Presence of Propylene over Pt-Based Core–Shell Nanocatalysts

Coupling of propane dehydrogenation with selective hydrogen oxidation is a practical strategy to achieve high propylene yield and low energy consumption. In this work, the detailed reaction mechanism on Pt(111) is explored using density functional theory calculations and microkinetic modeling to benefit the design of new catalysts. Calculated results indicate that the O₂ dissociation pathway is dominant for hydrogen oxidation, and the dissociation of O₂ is kinetically relevant. With the comparison between the energy barriers for dehydrogenation and oxidation, propyne is found to be the starting point for C3 oxidation. To obtain a high hydrogen oxidation rate and suppress the consumption of propylene, the catalytic performance of 11 M@Pt (M = Fe, Co, Ni, Cu, Ru, Rh, Os, Ir, Pd, Ag, and Au) core–shell surfaces is examined. Among all the core–shells, Ag@Pt not only has a high catalytic activity for hydrogen oxidation, but also exhibits a high selectivity toward propylene and is, therefore, the best candidate for selective hydrogen oxidation in the presence of propylene

<i>N</i>‑Pyridineium-2-yl Darrow Red Analogue: Unique Near-Infrared Lysosome-Biomarker for the Detection of Cancer Cells

The lysosome-targetable OFF–ON type pH sensor that does not emit at pH = 4.0 is adopted for the selective detection of cancer cells, and the acidity difference of lysosomes in cancer and normal cells is verified. Three pH probes based on Darrow Red derivatives were designed and prepared that were demonstrated to be lysosome-specific biomarkers with inducible emission at 580–850 nm by the comparable in cellular imaging assays using HeLa, KB, and V79 cells. Of these, a pyridineium-2-yl Darrow Red analogue with a p<i>K</i>_a of 2.4 was found to be a lysosome tracker for cancer cells, it is a unique pH sensor for the optical identification and distinction of cancer cells from normal cells and has potential application as a fluorescent biomaker of cancer cells in <i>in vitro</i> assays

Preparation of MSNs-Chitosan@Prochloraz Nanoparticles for Reducing Toxicity and Improving Release Properties of Prochloraz

Nanotechnology-based pesticide formulations can improve the utilization rate of pesticides and reduce their negative effects on the environment. In this work, prochloraz was encapsulated within the pores of mesoporous silica nanoparticles (MSNs) attached covalently chitosan on the surface as gatekeepers via a silane coupling agent to prepare MSNs-chitosan@prochloraz nanoparticles. The results demonstrated that the obtained nanoparticles had a relatively high loading efficiency of prochloraz (25.4% w/w) and enhanced the light stability of prochloraz effectively. The nanoparticles showed excellent esterase and pH dual-responsive properties with controlled release behavior. The biological activity survey confirmed that the acid and enzyme produced by infected fruit can easily open the “gate” guarded by chitosan to achieve esterase and pH triggered on-demand pesticide release. Compared with prochloraz emulsifiable concentrate, preharvest application of MSNs-chitosan@prochloraz nanoparticles possessed a longer duration and a better antifungal activity against citrus diseases. The toxicity of the nanoparticles to zebrafish was reduced more than 6-fold compared with that of prochloraz technical. These results demonstrated that the MSNs-chitosan@prochloraz nanoparticles had potential as an environmentally friendly preharvest treatment agent in agricultural application

Visualization1.mp4

Dynamic 3D imaging experimental results for living cancer cell

Mild Heat-Assisted Polydopamine/Alginate Hydrogel Containing Low-Dose Nanoselenium for Facilitating Infected Wound Healing

In clinical practice, it has become urgent to develop multifunctional wound dressings that can combat infection and prompt wound healing simultaneously. In this study, we proposed a polydopamine/alginate/nanoselenium composite hydrogel (Alg-PDA-Se) for the treatment of infected wounds. In particular, polydopamine endows the composite hydrogel with controllable near-infrared photothermal properties, while low-dosage selenium nanoparticles (Se NPs) offer excellent anti-oxidation, anti-inflammatory, pro-proliferative, pro-migration, and pro-angiogenic performances, which are verified by multiple cells, including macrophages, fibroblasts, and endothelial cells. More interestingly, the combination of mild temperature with low-dosage Se NPs produces a synergistic effect on combating both Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) and promoting the healing of bacteria-infected wounds in vivo. We anticipate that the designed composite hydrogel might be a potential candidate for anti-infection bioactive dressing

Cryo-EM maps of different EV71 particles or VLP in complex with D5 Fab or intact IgG.

<p><b>(A)</b> F-particle in complex with Fab. One icosahedral asymmetric unit of the capsid is indicated by a black triangle. <b>(B)</b> F-particle in complex with IgG. The color bar labels the corresponding radius from the center of the sphere (unit in Å). <b>(C)</b> E-particle in complex with Fab. <b>(D)</b> VLP in complex with IgG. The Fab components of the complexes are rendered in green to blue color. In the IgG bound complexes (F-particle-IgG and VLP-IgG), the density of the Fc region of the antibody could not be resolved owning to its extremely dynamic nature. <b>(E)</b> F-particle-Fab map with fitted models of six adjacent protomers around the 2-fold axis. The Fab densities were removed. VP1, VP2 (VP0) and VP3 structures and densities are shown in blue, green and red, respectively. Same color schema was followed throughout. Positions of the 2-fold, 3-fold and 5-fold icosahedral symmetry axes are indicated as grey oval, triangles, and pentagons, respectively. <b>(F)</b> The segmented density of the VP1 compact region from the F-particle-Fab map with the fitted model. <b>(G)</b> Expanded view of a representative portion of the map and model displayed in <a href="http://www.plospathogens.org/article/info:doi/10.1371/journal.ppat.1005454#ppat.1005454.g001" target="_blank">Fig 1F</a>.</p

Neutralization activity of D5 on a panel of enteroviruses.

<p>Neutralization activity of D5 on a panel of enteroviruses.</p

Binding interface between the D5 antibody and EV71 F-particle in the F-particle-Fab map.

<p><b>(A)</b> Overall view of the D5-EV71 binding interface located between the D5 Fab variable region and the VP1 of EV71. Models of heavy and light chains of the Fab, and VP1 of EV71 are shown in light purple, cyan, and blue, respectively. Cryo-EM density is shown in grey. A solid density connecting the EV71 VP1 and the Fab heavy chain is highlighted by dotted black circle. The visualization location with respect to the F-particle-Fab map is illustrated using a small panel in the lower left corner. <b>(B)</b> An expanded view of the D5-EV71 binding interface. Black arrows point to the CDR3 region of D5 heavy chain and VP1 GH-loop of EV71, respectively.</p