Protein Structure Prediction: The Next Generation

Over the last 10-15 years a general understanding of the chemical reaction of protein folding has emerged from statistical mechanics. The lessons learned from protein folding kinetics based on energy landscape ideas have benefited protein structure prediction, in particular the development of coarse grained models. We survey results from blind structure prediction. We explore how second generation prediction energy functions can be developed by introducing information from an ensemble of previously simulated structures. This procedure relies on the assumption of a funnelled energy landscape keeping with the principle of minimal frustration. First generation simulated structures provide an improved input for associative memory energy functions in comparison to the experimental protein structures chosen on the basis of sequence alignment

Cell Elasticity Determines Macrophage Function

Macrophages serve to maintain organ homeostasis in response to challenges from injury, inflammation, malignancy, particulate exposure, or infection. Until now, receptor ligation has been understood as being the central mechanism that regulates macrophage function. Using macrophages of different origins and species, we report that macrophage elasticity is a major determinant of innate macrophage function. Macrophage elasticity is modulated not only by classical biologic activators such as LPS and IFN-γ, but to an equal extent by substrate rigidity and substrate stretch. Macrophage elasticity is dependent upon actin polymerization and small rhoGTPase activation, but functional effects of elasticity are not predicted by examination of gene expression profiles alone. Taken together, these data demonstrate an unanticipated role for cell elasticity as a common pathway by which mechanical and biologic factors determine macrophage function

Solar thermoelectricity Via Advanced Latent Heat Storage

An aspect of the present disclosure is a system that includes a thermal valve having a first position and a second position, a heat transfer fluid, and an energy converter where, when in the first position, the thermal valve prevents the transfer of heat from the heat transfer fluid to the energy converter, and when in the second position, the thermal valve allows the transfer of heat from the heat transfer fluid to the energy converter, such that at least a portion of the heat transferred is converted to electricity by the energy converter

Unjamming and cell shape in the asthmatic airway epithelium

From coffee beans flowing in a chute to cells remodelling in a living tissue, a wide variety of close-packed collective systems— both inert and living—have the potential to jam. The collective can sometimes flow like a fluid or jam and rigidify like a solid. The unjammed-to-jammed transition remains poorly understood, however, and structural properties characterizing these phases remain unknown. Using primary human bronchial epithelial cells, we show that the jamming transition in asthma is linked to cell shape, thus establishing in that system a structural criterion for cell jamming. Surprisingly, the collapse of critical scaling predicts a counter-intuitive relationship between jamming, cell shape and cell–cell adhesive stresses that is borne out by direct experimental observations. Cell shape thus provides a rigorous structural signature for classification and investigation of bronchial epithelial layer jamming in asthma, and potentially in any process in disease or development in which epithelial dynamics play a prominent role

Processing of Transparent Rare Earth Doped Zirconia for High Temperature Light Emission Applications

The high fracture toughness of stabilized zirconia makes it one of the most widely applicable high temperature structural materials. However, it is not typicality considered for optical applications since the microstructure achieved by traditional processing makes it opaque. The aim of this dissertation is to develop processing methods for the introducing new functionalities of light transparency and light emission (photoluminescence) and to understand the nanostructure-property relationships that make these functionalities possible. A processing study of rare-earth (RE) doped Zirconium Oxide (ZrO2, zirconia) via Current Activated Pressure Assisted Densification (CAPAD) is presented. The role of processing temperature and dopant concentration on the crystal structure, microstructure and properties of the RE: ZrO2 is studied. Microstructural shows sub-100 nm grain size and homogeneous dopant distribution. X-ray diffraction and Raman analysis show that with increased dopant concentration the material changes from monoclinic to tetragonal. Structural analysis shows the material shows high hardness and toughness values 30% greater than similarly processed yttria-stabilized zirconia. Despite birefringence in the tetragonal phase, optical characterization is presented showing the samples are both highly transparent and photo-luminescent. Special attention is paid to analyzing structural and photoluminescence development during densification, as well as the role of oxygen vacancies on the optical properties of the densified material. This material is shown to be a promising candidate for a number of applications including luminescence thermometry and high temperature light emission

Phase Change Materials for Thermal Energy Storage in Concentrated Solar Thermal Power Plants

Experimental studies are presented that aim to utilize phase change materials (PCM's) to enhance thermal energy storage systems for concentrated solar thermal power (CSP) systems. Both laboratory scale and prototype flow loop scale experiments were conducted. Background and motivation of the system is presented followed by experimental results and experimental system design. Laboratory experiments were performed to determine the effectiveness of various surface treatments on changing the nucleation kinetics and enhancing heat transfer in the system. Experimental data is presented to show the effectiveness of both surface finish and surface material treatments.A large scale flow loop was designed and built to determine real heat transfer during solidification. Extensive design calculations were performed along with CAD design before the apparatus was constructed. Once the system was built, systematic testing and development led to a fully functional system ready for actual heat transfer testing