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Here, we report that a marine sandworm Nereis virens jaw protein, Nvjp1, nucleates hemozoin with similar activity as the native parasite hemozoin protein, HisRPII. X-ray diffraction and scanning electron microscopy confirm the identity of the hemozoin produced from Nvjp1-containing reactions. Finally, we observed that nAl assembled with hemozoin from Nvjp1 reactions has a substantially higher energetic output when compared to analogous thermite from the synthetic standard or HisRPII-nucleated hemozoin. Our results demonstrate that a marine sandworm protein can nucleate malaria pigment and set the stage for engineering recombinant hemozoin production for nanoenergetic applications.
There is a genuine need to shorten the development period for new materials with desired properties. In this work, machine learning (ML) was conducted on a dataset of the elastic moduli of 219 bulk-metallic glasses (BMGs) and another dataset of the critical casting diameters (Dmax) of 442 BMGs. The resulting ML model predicted the moduli and Dmax of BMGs in good agreement with most experimentally measured values, and the model even identified some errors reported in the literature. This work indicates the great potential of ML in design of advanced materials with target properties.
A collection of 65 formulated tablets and capsules were analyzed for phase composition by full pattern matching powder diffraction methods. The collection contained 32 of the top 200 prescription drugs sold in 2016 as well as many high-volume prescriptions and over the counter drugs from prior years. The study was used to evaluate new methods of analysis as well as the efficacy of programs designed to collect references on high volume excipients and pharmaceuticals for inclusion in the Powder Diffraction File™. The use of full pattern matching methods as well as reference pattern additions of many common excipients enabled major phase excipient identification in all formulations. This included identification of crystalline, nanocrystalline, and amorphous ingredients because full pattern matching involved the use of characteristic coherent and incoherent scatter. Oftentimes identification of the major excipients significantly aided the clean identification of the active pharmaceutical ingredients (APIs) and their polymorphic form, even at low concentrations (1–10 wt. %). Overall 93% of the APIs were identified, most through a PDF® material reference, but also through patent cross-referencing and similarity analysis comparisons.
Scanning thermal microscopy allows thermal characterization with nanoscale resolution. However, quantitative usage has been met with skepticism, because no standard exists for calibrating probe–sample thermal exchange. In this paper, three published strategies for calibrating probe–sample thermal exchange are directly compared, then used to measure bulk and thin-film thermal conductivity. It is shown that with an appropriately calibrated probe and film-on-substrate heat conduction model, thermal conductivity values of ultrathin-film (2.9–202 nm) Al2O3 on silicon are within 20% deviation of independently measured values, while more commonly used methods yield values that may deviate by more a factor of two.
In this chapter we examine the magnetic behavior in different types of solids. Magnetic order in a solid, induced either by an external field or by inherent properties of the structure, may be destroyed by thermal effects, that is, the tendency to increase the entropy by randomizing the direction of microscopic magnetic moments. Thus, magnetic phenomena are typically observed at low temperatures where the effect of entropy is not strong enough to destroy magnetic ordering.
Up to this point we have treated electrons in solids as essentially independent particles and solved the appropriate single-particle Schrödinger equations, exploiting only the symmetries imposed by the presence of the crystal lattice of ions. Given the strong and long-range interaction between electrons, that is, the Coulomb repulsion, and the fact that they are indistinguishable particles, we would expect a more complicated behavior, including some degree of correlation in the motion of these interacting particles. Thus, a better justification for the single-particle picture is required. We provide a comprehensive justification in this chapter.
In thewe discussed in detail the effects of lattice periodicity on the single-particle wavefunctions and the energy eigenvalues. We also touched on the notion that a crystal can have symmetries beyond the translational periodicity, such as rotations around axes, reflections on planes, and combinations of these operations with translations by vectors that are not lattice vectors, called “non-primitive” translations. All these symmetry operations are useful in calculating and analyzing the physical properties of a crystal. There are two basic advantages to using the symmetry operations of a crystal in describing its properties. First, the volume in reciprocal space for which solutions need to be calculated is further reduced, usually to a small fraction of the first Brillouin zone, called the “irreducible” part; for example, in the FCC crystals with one atom per unit cell, the irreducible part is of the full BZ.
Up to this point we have been dealing with the ground-state properties of electrons in solids. Even in the case of doped semiconductors, the presence of extra electrons or of holes relative to the undoped ideal crystal was due to the introduction of additional electrons (or removal of some electrons) as a result of the presence of impurities, with the additional charges still corresponding to the ground state of the solid. Some of the most important applications of materials result from exciting electrons out of the ground state. These include the optical properties of solids and the dielectric behavior (shielding of external electric fields). These phenomena are also some of the more interesting physical processes that can take place in solids when they interact with external electromagnetic fields. We turn our attention to these issues next.