In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MD-SAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

Dendrimers are highly branched, open, covalent assemblies of branch cells (monomers) radially attached to a core in successive layers or generations. Major types of dendrimers include polyamidoamine, polypropylenimine, multiple antigen peptide, chiral, and Fréchet-type dendrimers. Their structure and dynamics can be explored by various techniques, such as scattering, spectrometry, and microscopy techniques. Specifically, the scattering techniques include small-angle neutron scattering (SANS), quasi-elastic neutron scattering (QENS), small-angle X-ray scattering (SAXS), and light scattering. Examples of their properties that can be explored by scattering techniques include: inter-molecular structure, intra-molecular cavity, radius-of-gyration (RG), hydrodynamic radius (RH), molecular weight, effective charge number of a single dendrimer molecule, water penetration into the interior of the dendrimers, and the internal dynamics. Of these properties, the hydrodynamic radius and molecular weight may be explored by DLS; the internal dynamics of dendrimers may be studied by QENS; and the others may be explored through SAXS and SANS. During the past several years, SANS and QENS have been used to study the structural properties and internal dynamics of various generations of polyamidoamine dendrimers (PAMAMs). Their potential prospects as anticancer polymer drug carriers are also discussed

Small modular reactors (SMRs) refer to any reactor design in which the electricity generated is less than 300 MWe. Often medium-sized reactors with power less than 700 MWe are also grouped into this category. Internationally, the development of a variety of designs for SMRs is booming with many designs approaching maturity and even in or nearing the licensing stage. It is for this reason that a generalized yet comprehensive economic model for first-of-a-kind (FOAK) through nth-of-a-kind (NOAK) SMRs based upon rated power, plant configuration, and the fiscal environment was developed. In the model, a particular project's feasibility is assessed with regards to market conditions and by commonly utilized capital budgeting techniques, such as the net present value (NPV), internal rate of return (IRR), Payback, and more importantly, the levelized cost of energy (LCOE) for comparison to other energy production technologies. Finally, a sensitivity analysis was performed to determine the effects of changing debt, equity, interest rate, and conditions on the LCOE. The economic model is primarily applied to the near future water-cooled SMR designs in the United States. Other gas-cooled and liquid metal-cooled SMR designs have been briefly outlined in terms of how the economic model would change.

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In this paper, Small and Wide Angle X-ray Scattering (SWAXS) analysis of macromolecules is demonstrated through experimentation. SWAXS is a technique where X-rays are elastically scattered by an inhomogeneous sample in the nm-range at small angles (typically 0.1 -5°) and wide angles (typically > 5°). This technique provides information about the shape, size, and distribution of macromolecules, characteristic distances of partially ordered materials, pore sizes, and surface-to-volume ratio. Small Angle X-ray Scattering (SAXS) is capable of delivering structural information of macromolecules between 1 and 200 nm, whereas Wide Angle X-ray Scattering (WAXS) can resolve even smaller Bragg spacing of samples between 0.33 nm and 0.49 nm based on the specific system setup and detector. The spacing is determined from Bragg's law and is dependent on the wavelength and incident angle.In a SWAXS experiment, the materials can be solid or liquid and may contain solid, liquid or gaseous domains (so-called particles) of the same or another material in any combination. SWAXS applications are very broad and include colloids of all types: metals, composites, cement, oil, polymers, plastics, proteins, foods, and pharmaceuticals. For solid samples, the thickness is limited to approximately 5 mm.Usage of a lab-based SWAXS instrument is detailed in this paper. With the available software (e.g., GNOM-ATSAS 2.3 package by D. Svergun EMBL-Hamburg and EasySWAXS software) for the SWAXS system, an experiment can be conducted to determine certain parameters of interest for the given sample. One example of a biological macromolecule experiment is the analysis of 2 wt% lysozyme in a water-based aqueous buffer which can be chosen and prepared through numerous methods. The preparation of the sample follows the guidelines below in the Preparation of the Sample section. Through SWAXS experimentation, important structural parameters of lysozyme, e.g. the radius of gyration, can be analyzed. Video LinkThe video component of this article can be found at