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Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm.
Computational reaction prediction has become a ubiquitous task in chemistry due to the potential value accurate predictions can bring to chemists. Boronic acids are widely used in industry; however, understanding how to avoid...
The shaken realist
Abstract: Bernard Williams thought that philosophy should address real human concerns felt beyond academic philosophy. But what wider concerns are addressed by Ethics and the Limits of Philosophy, a book he introduces as being...
Structural properties of liquid Ge<sub>2</sub>Se<sub>3</sub>
The structural properties of liquid Ge2Se3 were investigated by first-principles molecular dynamics using the Becke-Lee-Yang-Parr scheme for the treatment of the exchange-correlation functional in density functional theory. Our...
Pressure sensing through Piezo channels controls whether cells migrate with blebs or pseudopods.
Blebs and pseudopods can both power cell migration, with blebs often favored in tissues, where cells encounter increased mechanical resistance. To investigate how migrating cells detect and respond to mechanical forces, we used...
Structural properties of liquid Ge<sub>2</sub>Se<sub>3</sub>
The structural properties of liquid Ge2Se3 were investigated by first-principles molecular dynamics using the Becke-Lee-Yang-Parr scheme for the treatment of the exchange-correlation functional in density functional theory. Our...
Pressure sensing through Piezo channels controls whether cells migrate with blebs or pseudopods.
Blebs and pseudopods can both power cell migration, with blebs often favored in tissues, where cells encounter increased mechanical resistance. To investigate how migrating cells detect and respond to mechanical forces, we used...
Plant Vasculature
To introduce pits into a cell wall, plants depolymerize cortical microtubules, which prevents subsequent secondary cell wall thickening. A newly identified protein tethers microtubules to the plasma membrane and contains this...
Does a Growing Static Length Scale Control the Glass Transition?
Several theories of the glass transition propose that the structural relaxation time τ_{α} is controlled by a growing static length scale ξ that is determined by the free energy landscape but not by the local dynamic rules...
Structural Imaging of Native Cryo-Preserved Secondary Cell Walls Reveals the Presence of Macrofibrils and Their Formation Requires Normal Cellulose, Lignin and Xylan Biosynthesis.
The woody secondary cell walls of plants are the largest repository of renewable carbon biopolymers on the planet. These walls are made principally from cellulose and hemicelluloses and are impregnated with lignin. Despite their...
Many-body effects at the origin of structural transitions in B<sub>2</sub>O<sub>3</sub>
The structural properties of glassy diboron trioxide, g-B2O3, are investigated from ambient to high pressure conditions using two types of atomic force-field models that account for many-body effects. These models are...
Mechanochemical synthesis and ion transport properties of Na<sub>3</sub>OX (X = Cl, Br, I and BH<sub>4</sub>) antiperovskite solid electrolytes

The push towards the development of next-generation solid-state batteries has motivated the search for novel solid electrolyte materials. Sodium antiperovskites represent a structural family of ion conductors that has emerged...

Many-body effects at the origin of structural transitions in B<sub>2</sub>O<sub>3</sub>
The structural properties of glassy diboron trioxide, g-B2O3, are investigated from ambient to high pressure conditions using two types of atomic force-field models that account for many-body effects. These models are...

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