Skovsgaard Sanford (coalping36)

Ion transport in crystalline fast ionic conductors is a complex physical phenomenon. Certain ionic species (e.g., Ag+, Cu+, Li+, F-, O2-, H+) in a solid crystalline framework can move as fast as in liquids. This property, although only observed in a limited number of materials, is a key enabler for a broad range of technologies, including batteries, fuel cells, and sensors. However, the mechanisms of ion transport in the crystal lattice of fast ionic conductors are still not fully understood despite the substantial progress achieved in the last 40 years, partly because of the wide range of length and time scales involved in the complex migration processes of ions in solids. Without a comprehensive understanding of these ion transport mechanisms, the rational design of new fast ionic conductors is not possible. In this review, we cover classical and emerging characterization techniques (both experimental and computational) that can be used to investigate ion transport processes in bulk crystalline inorganic materials which exhibit predominant ion conduction (i.e., negligible electronic conductivity) with a primary focus on literature published after 2000 and critically assess their strengths and limitations. Together with an overview of recent understanding, we highlight the need for a combined experimental and computational approach to study ion transport in solids of desired time and length scales and for precise measurements of physical parameters related to ion transport.Comparative and evolutionary analyses of metabolic networks have a wide range of applications, ranging from research into metabolic evolution through to practical applications in drug development, synthetic biology, and biodegradation. We present MAPPS Metabolic network Analysis and Pathway Prediction Server (https//mapps.lums.edu.pk), a web-based tool to study functions and evolution of metabolic networks using traditional and 'omics data sets. MAPPS provides diverse functionalities including an interactive interface, graphical visualization of results, pathway prediction and network comparison, identification of potential drug targets, in silico metabolic engineering, host-microbe interactions, and ancestral network building. Importantly, MAPPS also allows users to upload custom data, thus enabling metabolic analyses on draft and custom genomes, and has an 'omics pipeline to filter pathway results, making it relevant in today's postgenomic era.We present the analysis of a family of nanotubes (NTs) based on the quaternary misfit layered compound (MLC) YxLa1-xS-TaS2. The NTs were successfully synthesized within the whole range of possible compositions via the chemical vapor transport technique. In-depth analysis of the NTs using electron microscopy and spectroscopy proves the in-phase (partial) substitution of La by Y in the (La,Y)S subsystem and reveals structural changes compared to the previously reported LaS-TaS2 MLC-NTs. The observed structure can be linked to the slightly different lattice parameters of LaS and YS. Raman spectroscopy and infrared transmission measurements reveal the tunability of the plasmonic and vibrational properties. Density-functional theory calculations showed that the YxLa1-xS-TaS2 MLCs are stable in all compositions. Moreover, the calculations indicated that substitution of La by Sc atoms is electronically not favorable, which explains our failed attempt to synthesize these MLC and NTs thereof.A method has been developed to reliably quantify the isotopic composition of liquid water, requiring only immersion of a "ReactIR" probe in the sample under test. The accuracy and robustness of this method has been extensively tested using a deuterium/protium system, and substantial improvements in sensitivity were obtained using highly novel chemical signal amplification methods demonstrating a standard deviation of 247 ppb D (a δD of 1.6 ‰). This compares favorably with other more costly and time-consuming techniques and is over 20 t