Resistive neuristor junctions

A neuristor R-junction is provided by coupling neuristor lines by paths of varying resistance so that a pulse being propagated on one line when coupled to a portion of the second line through a relatively high resistive path will place the second line in the refractory mode thus preventing the propagation of a pulse through that portion of second line; however the same pulse coupled to another portion of the second line through a lower resistance path will cause a pulse to be produced in the second line and propagated in that portion of second line which is not in the refractory mode. Various logic and storage circuits are included in the disclosure

Workshop Report: Developing a Research Agenda for the Energy Water Nexus

The energy water nexus has attracted public scrutiny because of the concerns about their interdependence and the possibility for cascading vulnerabilities from one system to the other. There are trends toward more water-­‐intensive energy (such as biofuels , unconventional oil and gas production, and regulations driving more water consumption for thermoelectric power production ) and more energy-­‐intensive water (such as desalination, or deeper ground water pumping and production). In addition demographic trends of population and economic growth will likely drive up total and per capita water and energy demand, and due to climate change related distortions of the hydrologic cycle, it is expected that the existing interdependencies will be come even more of a concern. Therefore, developing a research agenda and strategy to mitigate potential vulnerabilities and to meet economic and environmental targets for efficiently using energy and water would be very worthwhile. To address these concerns, the National Science Foundation (NSF) sponsored a workshop on June 10-­‐11, 2013 in Arlington, VA (at NSF headquarters) to bring together technical, academic, and industry experts from across the country to help develop such a research agenda. The workshop was sponsored by NSF Grant Number CBET 1341032 from the Division of Chemical, Bioengineering, Environmental and Transport Systems. Supporting programs were: Thermal Transport Processes, Environmental Sustainability, and Environmental Engineering.Center for Research in Water Resource

Two-sided Bogoliubov inequality to estimate finite size effects in quantum molecular simulations

We generalise the two-sided Bogoliubov inequality for classical particles (Delle Site et al. in J Stat Mech Theory Exp 083201, 2017 to systems of quantum particles. As in the classical set-up, the inequality leads to upper and lower bounds for the free energy difference associated with the partitioning of a large system into smaller, independent subsystems. From a thermodynamic modelling point of view, the free energy difference determines the finite size correction needed to consistently treat a small system as a representation of a large system. Applications of the bounds to quantify finite size effects are ubiquitous in physics, chemistry, material science, or biology, to name just a few; in particular, it is relevant for molecular dynamics simulations in which a small portion of a system is usually taken as representative of the idealized large system

Finite-size effects and thermodynamic accuracy in many-particle systems

Finite-size effects arise when a sample of particles is not sufficient to provide a statistically satisfactory description of the bulk environment of a physical system. As a consequence, a reliable estimate of finite-size effects in many-particle systems is key to judge the validity of a theoretical model or the accuracy of a numerical simulation. In this context, we propose the use of a theorem on the free-energy cost for separating a system into smaller independent subsystems [J. Stat. Mech.: Theory Exp. (2017) 083201; Lett. Math. Phys. 112, 97 (2022)] to estimate the relevance of finite-size effects in thermodynamic quantities from computer simulations. The key aspect of this study is that for two-body potentials, as mostly occurring in physics, the method requires only two-body distribution functions and the particle number density. The calculation of the involved physical quantities can be done numerically on a three-dimensional grid. In some cases even analytical estimates are possible and as an example the uniform interacting electron gas in the ground state is considered; we derive an approximating scaling law for the finite-size effects

Detecting species-site dependencies in large multiple sequence alignments

Multiple sequence alignments (MSAs) are one of the most important sources of information in sequence analysis. Many methods have been proposed to detect, extract and visualize their most significant properties. To the same extent that site-specific methods like sequence logos successfully visualize site conservations and sequence-based methods like clustering approaches detect relationships between sequences, both types of methods fail at revealing informational elements of MSAs at the level of sequence–site interactions, i.e. finding clusters of sequences and sites responsible for their clustering, which together account for a high fraction of the overall information of the MSA. To fill this gap, we present here a method that combines the Fisher score-based embedding of sequences from a profile hidden Markov model (pHMM) with correspondence analysis. This method is capable of detecting and visualizing group-specific or conflicting signals in an MSA and allows for a detailed explorative investigation of alignments of any size tractable by pHMMs. Applications of our methods are exemplified on an alignment of the Neisseria surface antigen LP2086, where it is used to detect sites of recombinatory horizontal gene transfer and on the vitamin K epoxide reductase family to distinguish between evolutionary and functional signals

INNOVATIVE IN-SITU REMEDIATION OF CONTAMINATED SEDIMENTS FOR SIMULTANEOUS CONTROL OF CONTAMINATION AND EROSION

New technologies are needed that neutralize contaminant toxicity and control physical transport mechanisms that mobilize sediment contaminants. The last 12 months of this comprehensive project investigated the use of combinations of sequestering agents to develop in situ active sediment caps that stabilize mixtures of contaminants and act as a barrier to mechanical disturbance under a broad range of environmental conditions. Efforts focused on the selection of effective sequestering agents for use in active caps, the composition of active caps, and the effects of active cap components on contaminant bioavailability and retention. Results from this project showed that phosphate amendments, some organoclays, and the biopolymer, chitosan, were very effective at removing metals from both fresh and salt water. These amendments also exhibited high retention (80% or more) of most metals indicating reduced potential for remobilization to the water column. Experiments on metal speciation and retention in contaminated sediment showed that apatite and organoclay can immobilize a broad range of metals under both reduced and oxidized conditions. These studies were followed by sequential extractions to evaluate the bioavailability and retention of metals in treated sediments. Metal fractions recovered in early extraction steps are more likely to be bioavailable and were termed the Potentially Mobile Fraction (PMF). Less bioavailable fractions collected in later extraction steps were termed the Recalcitrant Factor (RF). Apatite and organoclay reduced the PMF and increased the RF for several elements, especially Pb, Zn, Ni, Cr, and Cd. Empirically determined partitioning coefficients and modeling studies were used to assess the retention of organic contaminants on selected sequestering agents. Organoclays exhibited exceptionally high sorption of polycyclic aromatic hydrocarbons as indicated by a comparison of K{sub d} values among 12 amendments. These results suggested that organoclays have high potential for controlling organic contaminants. Measured partitioning coefficients were used to model the time required for a contaminant to penetrate sediment caps composed of organoclay. The results showed that a thin layer of highly sorptive organoclay can lead to very long migration times, perhaps longer than the expected lifetime of the contaminant in the sediment environment. A one-dimensional numerical model was used to examine the diffusion of metals through several cap material based on measured and assumed material and transport properties. These studies showed that active caps composed of apatite or organoclay have the potential to delay contaminant breakthrough due to diffusion by hundreds of years or more compared with passive caps composed of sand. Advectively dominated column experiments are currently underway to define effective sorption related retardation factors in promising amendments for various hydrophobic organic compounds. Upon completion of these experiments, advection transient models will be used to estimate the time required for the breakthrough of various contaminants in caps composed of different experimental materials. Biopolymer products for inclusion in active caps were evaluated on the basis of resistance to biodegradation, sorption capacity for organic and inorganic contaminants, and potential for erosion control. More than 20 biopolymer products were evaluated resulting in the selection of chitosan/guar gum cross-linked with borax and xanthan/chitosan cross-linked with calcium chloride for inclusion in active caps to produce a barrier that resists mechanical disturbance. A process was developed for coating sand with cross-linked biopolymers to provide a means for delivery to the sediment surface. Properties of biopolymer coated sand such as carbon fraction (indicating biopolymer coverage), porosity, bulk density, and biodegradability have been evaluated, and experiments are currently underway to assess the resistance of biopolymer coated sand to erosion. Although the ability of active cap materials to remediate contaminants has been emphasized in this study, it is also important to ensure that these materials do not have deleterious effects on the environment. Therefore, promising amendments were evaluated for toxicity using 10 day sediment toxicity tests, the standardized Toxicity Characteristic Leaching Procedure (TCLP), and measurement of metal concentrations in aqueous extracts from the amendments. Metal concentrations were below TCLP limits, EPA ambient water quality criteria, and other ecological screening values These results showed that apatite, organoclay, and biopolymer coated sand do not release metals. The sediment toxicity tests indicated that apatite and biopolymer coated sand are unlikely to adversely affect benthic organisms, even when used in high concentrations

Seasonal Toxicity Observed with Amphipods (Eohaustorius estuarius) at Paleta Creek, San Diego Bay, USA

To assess potential impacts on receiving systems, associated with storm water contaminants, laboratory 10‐d amphipod (Eohaustorius estuarius) survival toxicity tests were performed using intact sediment cores collected from Paleta Creek (San Diego Bay, CA, USA) on 5 occasions between 2015 and 2017. The approach included deposition‐associated sediment particles collected from sediment traps placed at each of 4 locations during the 2015 to 2016 wet seasons. The bioassays demonstrated wet season toxicity, especially closest to the creek mouth, and greater mortality associated with particles deposited in the wet season compared with dry season samples. Grain size analysis of sediment trap material indicated coarser sediment at the mouth of the creek and finer sediment in the outer depositional areas. Contaminant concentrations of metals (Cd, Cu, Hg, Ni, Pb, and Zn) and organic compounds (polycyclic aromatic hydrocarbons [PAHs], polychlorinated biphenyls [PCBs], and pesticides) were quantified to assess possible causes of toxicity. Contaminant concentrations were determined in the top 5 cm of sediment and porewater (using passive samplers). Whereas metals, PAHs, and PCBs were rarely detected at sufficient concentrations to elicit a response, pyrethroid pesticides were highly correlated with amphipod toxicity. Summing individual pyrethroid constituents using a toxic unit approach suggested that toxicity to E. estuarius could be associated with pyrethroids. This unique test design allowed delineation of spatial and temporal differences in toxicity, suggesting that storm water discharge from Paleta Creek may be the source of seasonal toxicity. Environ Toxicol Chem 2019;39:229–239. © 2019 SETACPeer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/152638/1/etc4619_am.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/152638/2/etc4619.pd

Applications and data analysis of next-generation sequencing

Over the past 6 years, next-generation sequencing (NGS) has been established as a valuable high-throughput method for research in molecular genetics and has successfully been employed in the identification of rare and common genetic variations. Although the high expectations regarding the discovery of new diagnostic targets and an overall reduction of cost have been achieved, technological challenges in instrument handling, robustness of the chemistry, and data analysis need to be overcome. Each workflow and sequencing platform have their particular problems and caveats, which need to be addressed. Regarding NGS, there is a variety of different enrichment methods, sequencing devices, or technologies as well as a multitude of analyzing software products available. In this manuscript, the authors focus on challenges in data analysis when employing different target enrichment methods and the best applications for each of the

Sequestration of metals in active cap materials: A laboratory and numerical evaluation

Active capping involves the use of capping materials that react with sediment contaminants to reduce their toxicity or bioavailability. Although several amendments have been proposed for use in active capping systems, little is known about their long-term ability to sequester metals. Recent research has shown that the active amendment apatite has potential application for metals contaminated sediments. The focus of this study was to evaluate the effectiveness of apatite in the sequestration of metal contaminants through the use of short-term laboratory column studies in conjunction with predictive, numerical modeling. A breakthrough column study was conducted using North Carolina apatite as the active amendment. Under saturated conditions, a spike solution containing elemental As, Cd, Co, Se, Pb, Zn, and a non-reactive tracer was injected into the column. A sand column was tested under similar conditions as a control. Effluent water samples were periodically collected from each column for chemical analysis. Relative to the non-reactive tracer, the breakthrough of each metal was substantially delayed by the apatite. Furthermore, breakthrough of each metal was substantially delayed by the apatite compared to the sand column. Finally, a simple 1-D, numerical model was created to qualitatively predict the long-term performance of apatite based on the findings from the column study. The results of the modeling showed that apatite could delay the breakthrough of some metals for hundreds of years under typical groundwater flow velocities