Outputs (558)

Flow-Assisted Synthesis: A Key Fragment of SR 142948A (2017)
Journal Article

We report a series of multi-step flow operations to deliver an advanced hydrazine intermediate used in the assembly of the neurotensin modulator SR 142948A. Several new reactor configurations have enabled chemical transformations that would be otherw... Read More about Flow-Assisted Synthesis: A Key Fragment of SR 142948A.

Topological inversions in coalescing granular media control fluid-flow regimes (2017)
Journal Article

Sintering—or coalescence—of viscous droplets is an essential process in many natural and industrial scenarios. Current physical models of the dynamics of sintering are limited by the lack of an explicit account of the evolution of microstructural geo... Read More about Topological inversions in coalescing granular media control fluid-flow regimes.

Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence (2015)
Journal Article

We examine the analogy between evolutionary dynamics and statistical mechanics to include the fundamental question of ergodicity—the representative exploration of the space of possible states (in the case of evolution this is genome space). Several p... Read More about Are there ergodic limits to evolution? Ergodic exploration of genome space and convergence.

Formation of complex self-assembled aggregates in non-ionic chromonics: dimer and trimer columns, layer structures and spontaneous chirality (2016)
Journal Article

Dissipative particle dynamics (DPD) simulations are used to model the aqueous self-assembly of three variants of the non-ionic triphenylene-based chromonic mesogen, TP6EO2M. In the variants studied, one to three of the six methoxy poly(ethylene glyco... Read More about Formation of complex self-assembled aggregates in non-ionic chromonics: dimer and trimer columns, layer structures and spontaneous chirality.

Does regional loss of bone density explain low trauma distal forearm fractures in men (The Mr F study)? (2017)
Journal Article

Summary The pathogenesis of low trauma wrist fractures in men is not fully understood. This study found that these men have lower bone mineral density at the forearm itself, as well as the hip and spine, and has shown that forearm bone mineral densit... Read More about Does regional loss of bone density explain low trauma distal forearm fractures in men (The Mr F study)?.

Ions modulate stress-induced nano-texture in supported fluid lipid bilayers (2017)
Journal Article

Most plasma membranes comprise a large number of different molecules including lipids and proteins. In the standard fluid mosaic model, the membrane function is effected by proteins whereas lipids are largely passive and serve solely in the membrane... Read More about Ions modulate stress-induced nano-texture in supported fluid lipid bilayers.

The architecture and shallow conduits of Laki-type pyroclastic cones: insights into a basaltic fissure eruption (2016)
Journal Article

Pyroclastic cones built along basaltic fissures provide important volcanological information, but it is often difficult to examine the early-erupted products due to burial by later products. Furthermore, it is rare to see the link between the feeder... Read More about The architecture and shallow conduits of Laki-type pyroclastic cones: insights into a basaltic fissure eruption.

The Role of High-Dimensional Diffusive Search, Stabilization, and Frustration in Protein Folding (2014)
Journal Article

Proteins are polymeric molecules with many degrees of conformational freedom whose internal energetic interactions are typically screened to small distances. Therefore, in the high-dimensional conformation space of a protein, the energy landscape is... Read More about The Role of High-Dimensional Diffusive Search, Stabilization, and Frustration in Protein Folding.

Hydroacenes made easy by gold(I) catalysis (2016)
Journal Article

A novel strategy for the synthesis of partially saturated acene derivatives has been developed based on a AuI-catalyzed cyclization of 1,7-enynes. This method provides straightforward access to stable polycyclic products featuring the backbone of the... Read More about Hydroacenes made easy by gold(I) catalysis.

Apparent Contact Angle and Contact Angle Hysteresis on Liquid Infused Surfaces (2016)
Journal Article

We theoretically investigate the apparent contact angle and contact angle hysteresis of a droplet placed on a liquid infused surface. We show that the apparent contact angle is not uniquely defined by material parameters, but also has a dependence on... Read More about Apparent Contact Angle and Contact Angle Hysteresis on Liquid Infused Surfaces.

Development of new coarse-grained models for chromonic liquid crystals: insights from top-down approaches (2017)
Journal Article

Two top-down coarse-grained molecular simulation models for a chromonic liquid crystal, 3,6,7,10,11-hexa-(1,4,7-trioxa-octyl)-triphenylene, are tested. We use an extension of the well-known MARTINI model and develop a new coarse-grained model based o... Read More about Development of new coarse-grained models for chromonic liquid crystals: insights from top-down approaches.

Swelling Behavior and Nanomechanical Properties of (Peptide-Modified) Poly(2-hydroxyethyl methacrylate) and Poly(poly(ethylene glycol) methacrylate) Brushes (2016)
Journal Article

Poly(2-hydroxyethyl methacrylate) (PHEMA) and poly(poly(ethylene glycol) methacrylate) (PPEGMA) brushes represent a class of thin, surface-tethered polymer films that have been extensively used e.g. to generate non-biofouling surfaces or as model sys... Read More about Swelling Behavior and Nanomechanical Properties of (Peptide-Modified) Poly(2-hydroxyethyl methacrylate) and Poly(poly(ethylene glycol) methacrylate) Brushes.

Hydrolytic degradation of ROMP thermosetting materials catalysed by bio-derived acids and enzymes: from networks to linear materials (2016)
Journal Article

This paper reports the first example of degradable ROMP thermosetting materials catalysed by bio-derived acids and cutinase from Thermobifida cellulosilytica (Thc_Cut1). The ROMP thermosetting materials are based on norbornene dicarboximides containi... Read More about Hydrolytic degradation of ROMP thermosetting materials catalysed by bio-derived acids and enzymes: from networks to linear materials.

Scrolling of supramolecular lamellae in the hierarchical self-assembly of fibrous gels (2017)
Journal Article

Gels are extremely important soft materials with everyday applications in areas such as soaps, lubricants, catalysis, and the oilfield chemistry. Although gels are commonly based on polymers, there is a great deal of interest in small-molecule gelato... Read More about Scrolling of supramolecular lamellae in the hierarchical self-assembly of fibrous gels.

The Lipidation Profile of Aquaporin-0 Correlates with The Acyl Composition of Phosphoethanolamine Lipids in Lens Membranes (2016)
Journal Article

The lens fiber major intrinsic protein (otherwise known as aquaporin-0 (AQP0), MIP26 and MP26) has been examined by mass spectrometry (MS) in order to determine the speciation of acyl modifications to the side chains of lysine residues and the N-term... Read More about The Lipidation Profile of Aquaporin-0 Correlates with The Acyl Composition of Phosphoethanolamine Lipids in Lens Membranes.

Understanding rheological hysteresis in soft glassy materials (2017)
Journal Article

Motivated by recent experimental studies of rheological hysteresis in soft glassy materials, we study numerically strain rate sweeps in simple yield stress fluids and viscosity bifurcating yield stress fluids. Our simulations of downward followed by... Read More about Understanding rheological hysteresis in soft glassy materials.

Cavity-Containing Supramolecular Gels as a Crystallization Tool for Hydrophobic Pharmaceuticals (2016)
Journal Article

We present two approaches to low-molecular-weight supramolecular gels bearing hydrophobic cavities based on calixarene-containing building blocks. Gels are formed by a calixarene based tetrahydrazide gelator or a co-gel of a calixarene diammonium sal... Read More about Cavity-Containing Supramolecular Gels as a Crystallization Tool for Hydrophobic Pharmaceuticals.

Theoretical prediction and experimental measurement of isothermal extrudate swell of monodisperse and bidisperse polystyrenes (2017)
Journal Article

This paper describes the theoretical prediction, finite element simulation, and experimental studies of extrudate swell in monodisperse and bidisperse polystyrenes. We present a molecular approach to understanding extrudate swell using the tube-model... Read More about Theoretical prediction and experimental measurement of isothermal extrudate swell of monodisperse and bidisperse polystyrenes.

Sticking and sliding of lipid bilayers on deformable substrates (2016)
Journal Article

We examine here the properties of lipid bilayers coupled to deformable substrates. We show that by changing the extent of the substrate hydrophilicity, we can control the membrane–substrate coupling and the response of the bilayer to strain deformati... Read More about Sticking and sliding of lipid bilayers on deformable substrates.

Phase Separation on Bicontinuous Cubic Membranes: Symmetry Breaking, Reentrant, and Domain Faceting (2016)
Journal Article

WWe study the phase separation of binary lipid mixtures that form bicontinuous cubic phases. The competition between the nonuniform Gaussian membrane curvature and line tension leads to a very rich phase diagram, where we observe symmetry breaking of... Read More about Phase Separation on Bicontinuous Cubic Membranes: Symmetry Breaking, Reentrant, and Domain Faceting.