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At least 919 records · Page 51

Development of Nanocomposite Coatings for Future Large-Scale Time Projection Chambers

In the context of this award we tested the performance of thin high-resistivity coatings for their potential usage as field shaping systems in future large scale xenon Time Projection Chambers (TPC). A successful implementation of such thin coatings would likely simplify the design of potential future detectors, allowing to overcome some of the challenges observed with traditional systems constituted by massive discrete electrodes. We studied a wide range of materials and characterized their optical and electrical performances as functions of temperature and wavelength. The measurement campaign indicated that uniform coatings covering the full PTFE substrate (usually used as reflector in LXe TPCs) impact too severely on the light collection performance of such detectors when used with deep UV light. Despite tuning the composition and thicknesses of nanocomposite coatings, we were not able to identify a single coating, properly working at LXe temperature, that would simultaneously fulfill the resistance and optical requirements. Following the risk mitigation strategy identified in the proposal we moved the focus of the R&D to identify proper materials that, when coated with grid-like patterns on PTFE, would not alter meaningfully its optical properties (with respect to bare PTFE panels) but would still serve as effective field shaping systems, properly containing the drift field in TPC detectors. Among the various materials we identified germanium as the most promising one, providing a good adhesion to PTFE and the proper range of sheet resistivity. The Ge-patterned coating tested within a small scale LXe TPC showed good performance as a field shape system and, as desired, did not reduce the detector light yield. These results are encouraging and such technology should further be investigated as a potential alternative to more traditional field shaping electrodes. Incidentally, in the context of this R&D, we stumbled upon an unexpected behavior suggesting that some of the treatments performed on the PTFE panels, in preparation of the coatings, meaningfully boosted the PTFE reflectivity. The most probable candidate is the O2 plasma cleaning procedure. This hypothesis will be tested in the near future by operating the small scale TPC at UChicago first with regular PTFE panels and then with panels bombarded with O2 plasma (but no coatings). This finding, if confirmed, might open up the possibility of further boosting UV light collection in future large detectors by performing such a treatment on the PTFE surfaces.

36 MATERIALS SCIENCE↗

Mixing rates calculated from potential vorticity

Horizontal mixing coefficients K(yy) and K(yz) were computed using potential vorticity and gradients calculated from NMC data for geopotential heights and temperatures. It was found that the mid-latitude to polar mixing coefficients depend on the use of nongeostrophic winds, which yield K(yy) values which are mostly positive, whereas geostophic winds yield K(yy) values which were largely negative near the polar region. A comparison of the K(yy) values calculated from the potential vorticity fluxes and gradients with the K(yy) values calculated using the momentum balance between the flux of potential vorticity and the residual circulation has shown that the residual-circulation-balanced K(yy) values in the upper stratosphere were much larger than the values calculated by the present method. It is suggested that this difference is the result of breaking gravity waves in the upper stratosphere and lower mesosphere.

Newman, Paul A.↗

Dynamic Nanopeptide Assemblies for Trans-Tympanic Drug Delivery

Aim: Otitis media is a common otolaryngologic diagnosis worldwide. Invasive methods to curtail and treat frequent occurrences are undesirable, thus necessitating the identification and production of a non-invasive approach to treating the disease. Due to tympanic membrane thickness, ototopical drug delivery is challenging. In this preliminary study, formulations integrating nanopeptides and thermoresponsive polymeric hydrogels are utilized to improve the efficiency of trans-tympanic membrane drug delivery. Methods: Peptides were synthesized using standard Fmoc (fluorenylmethoxycarbonyl protecting group) based solid state peptide synthesis on an automated peptide synthesizer. Ciprofloxacin release was simulated using multiwell microplates with porous inserts. Rate of Ciprofloxacin release was measured over a 48-hour period using a 200 uL solution of peptide fibers and Ciprofloxacin at 1 wt% each, and the labeled peptide at 0.1 wt% in PBS at pH of 7.4. The cytotoxicity of the PA (peptide amphiphile, specifically c16-AHL 3 K 3 -CO 2 H) micelle and fiber with and without ciprofloxacin was investigated by examining epidermal keratinocyte viability in the presence of the material at various concentrations. Laser scanning confocal microscopy was performed with excitation of the calcein dye at 485 nm and the PA-TAMRA (rhodamine labeled peptide) at 515 nm. Results: We have demonstrated the potential viability of a self-assembled peptide amphiphile hydrogel capable of transitioning from a network of 1D nanoscale fibers to 0D micelles. This dissociative mechanism of action yields a peptide that is an effective cell penetrating peptide (CPP) while temporally controlling the release of the antibiotic ciprofloxacin. Conclusion: This work highlights the potential utility of the dynamic process of an engineered peptide hydrogel capable of dissociating into CPPs capable of facilitating drug delivery across the tympanic membrane.

cell culture↗

Viral Inhibitors Derived from Macroalgae, Microalgae, and Cyanobacteria: A review of antiviral potential throughout pathogenesis

Viruses are abiotic obligate parasites utilizing complex mechanisms to hijack cellular machinery and reproduce, causing multiple harmful effects in the process. Viruses represent a growing global health concern; at the time of writing, COVID-19 has killed at least two million people around the world and devastated global economies. Lingering concern regarding the virus’ prevalence yet hampers return to normalcy. While catastrophic in and of itself, COVID-19 further heralds in a new era of human-disease interaction characterized by the emergence of novel viruses from natural sources with heretofore unseen frequency. Due to deforestation, population growth, and climate change, we are encountering more viruses that can infect larger groups of people with greater ease and increasingly severe outcomes. The devastation of COVID-19 and forecasts of future human/disease interactions call for a creative reconsideration of global response to infectious disease. There is an urgent need for accessible, cost-effective antiviral (AV) drugs that can be mass-produced and widely distributed to large populations. Development of AV drugs should be informed by a thorough understanding of viral structure and function as well as human biology. To maximize efficacy, minimize cost, and reduce development of drug-resistance, these drugs would ideally operate through a varied set of mechanisms at multiple stages throughout the course of infection. Due to their abundance and diversity, natural compounds are ideal for such comprehensive therapeutic interventions. Promising sources of such drugs are found throughout nature; especially remarkable are the algae, a polyphyletic grouping of phototrophs that produce diverse bioactive compounds. While not much literature has been published on the subject, studies have shown that these compounds exert antiviral effects at different stages of viral pathogenesis. In this review, we follow the course of viral infection in the human body and evaluate the AV effects of algae-derived compounds at each stage. Specifically, we examine the AV activities of algae-derived compounds at the entry of viruses into the body, transport through the body via the lymph and blood, infection of target cells, and immune response. We discuss what is known about algae-derived compounds that may interfere with the infection pathways of SARS-CoV-2; and review which algae are promising sources for AV agents or AV precursors that, with further investigation, may yield life-saving drugs due to their diversity of mechanisms and exceptional pharmaceutical potential.

Algae, antiviral, SARS-CoV-2, seaweed, cyanobacter↗

Exploring uncertainties in global crop yield projections in a large ensemble of crop models and CMIP5 and CMIP6 climate scenarios

Concerns over climate change are motivated in large part because of their impact on human society. Assessing the effect of that uncertainty on specific potential impacts is demanding, since it requires a systematic survey over both climate and impacts models. We provide a comprehensive evaluation of uncertainty in projected crop yields for maize, spring and winter wheat, rice, and soybean, using a suite of nine crop models and up to 45 CMIP5 and 34 CMIP6 climate projections for three different forcing scenarios. To make this task computationally tractable, we use a new set of statistical crop model emulators. We find that climate and crop models contribute about equally to overall uncertainty. While the ranges of yield uncertainties under CMIP5 and CMIP6 projections are similar, median impact in aggregate total caloric production is typically more negative for the CMIP6 projections (+1% to −19%) than for CMIP5 (+5% to −13%). In the first half of the 21st century and for individual crops is the spread across crop models typically wider than that across climate models, but we find distinct differences between crops: globally, wheat and maize uncertainties are dominated by the crop models, but soybean and rice are more sensitive to the climate projections. Climate models with very similar global mean warming can lead to very different aggregate impacts so that climate model uncertainties remain a significant contributor to agricultural impacts uncertainty. These results show the utility of large-ensemble methods that allow comprehensively evaluating factors affecting crop yields or other impacts under climate change. The crop model ensemble used here is unbalanced and pulls the assumption that all projections are equally plausible into question. Better methods for consistent model testing, also at the level of individual processes, will have to be developed and applied by the crop modeling community.

crop yield projections↗

How do drought and heat affect the response of soybean seed yield to elevated O 3 ? An analysis of 15 seasons of free–air O 3 concentration enrichment studies

The coincidence of rising ozone concentrations ([O 3 ]), increasing global temperatures, and drought episodes is expected to become more intense and frequent in the future. A better understanding of the responses of crop yield to elevated [O 3 ] under different levels of drought and high temperature stress is, therefore, critical for projecting future food production potential. Using a 15-year open-air field experiment in central Illinois, we assessed the impacts of elevated [O 3 ] coupled with variation in growing season temperature and water availability on soybean seed yield. Thirteen soybean cultivars were exposed to a wide range of season-long elevated [O 3 ] in the field using free-air O 3 concentration enrichment. Elevated [O3] treatments reduced soybean seed yield from as little as 5.3% in 2005 to 35.2% in 2010. Although cultivars differed in yield response to elevated [O 3 ] (R), ranging from 17.5% to –76.4%, there was a significant negative correlation between R and O 3 dosage. Soybean cultivars showed greater seed yield losses to elevated [O 3 ] when grown at drier or hotter conditions compared to wetter or cooler years, because the hotter and drier conditions were associated with greater O 3 treatment. However, year-to-year variation in weather conditions did not influence the sensitivity of soybean seed yield to a given increase in [O 3 ]. Collectively, this study quantitatively demonstrates that, although drought conditions or warmer temperatures led to greater O 3 treatment concentrations and O 3 -induced seed yield reduction, drought and temperature stress did not alter soybean's sensitivity to O 3 . Our results have important implications for modeling the effects of rising O 3 pollution on crops and suggest that altering irrigation practices to mitigate O 3 stress may not be effective in reducing crop sensitivity to O 3 .

60 APPLIED LIFE SCIENCES↗

Triple junction solute segregation in Al-based polycrystals

Solute segregation is a crucial means of stabilizing nanostructured alloys, and at very small grain sizes, this requires consideration of triple junctions (TJs), which attain a meaningful volume fraction and thus become relevant for bulk material behavior. Here, in this study, the solute segregation spectra for grain boundary (GB) and TJ sites are calculated for a large number of dilute Al-based binary systems with available interatomic potentials. A defect-identifying algorithm is applied to quantify the average GB thickness and classify the intergranular site spectra into GB and junction subspectra. The algorithm is also applied to a hybrid electronic-level database for GB segregation of various solutes in Al, yielding polycrystalline TJ solute segregation spectra from first principles. The results suggest that TJ segregation is alloy or interatomic potential dependent and can exhibit either boundary or junction preference. With these spectra as inputs, the spectral GB segregation model gives quantitative predictions of segregation as a function of grain size, temperature, and total solute concentration, suitable for alloy screening and design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermoeconomic Evaluation and Optimization of Using Different Environmentally Friendly Refrigerant Pairs for a Dual-Evaporator Cascade Refrigeration System

Applications of dual-evaporator refrigeration systems have recently gained much attention both in academia and industry due to their multiple benefits. In this study, a comprehensive thermodynamic and economic analysis is conducted to evaluate the potential of using several environmentally friendly refrigerant couples and identifies the most suitable one yielding the best economic results. To achieve this goal, a detailed parametric study is conducted, and an optimization process is performed using a particle swarm optimization (PSO) approach to minimize the unit production cost of cooling (UPCC) of the cascade refrigeration system. The results showed that among all selected 18 refrigerant pairs and for all ranges of examined operating parameters, the R170-R161 pair and R1150-R1234yf pair are identified as the best and worst pairs, respectively, from both thermodynamic and economic viewpoints. The results also confirm that R170-R161 pair has an improvement over R717-R744, used as a typical refrigerant pair of cascade refrigeration cycles. For a base case analysis, the COP of R170-R161 and R1150-R1234yf pairs is determined as 1.727 and 1.552, respectively, while their UPCC is found to be $0.395/ton-hr and $0.419/ton-hr, respectively, showing the influence of proper selection of refrigerant pairs on the cascade cycle’s performance. Overall, this study offers a useful thermodynamic and economic insight regarding the selection of proper refrigerant pairs for a dual-evaporator cascade vapor compression refrigeration system.

42 ENGINEERING↗

Effect of ash in paper sludge on enzymatic hydrolysis

The valorization of paper sludge is a high-potential process to develop renewable fuels and chemicals, which can be integrated with pulp and paper mills. Calcium carbonate is the main ash component in sludge, which plays a role in buffering pH and potentially lowering the conversion during enzymatic hydrolysis. Therefore, it is important to investigate the effect of ash on sugar yields and examine pH change to introduce efficient and economical enzymatic hydrolysis of sludge. Carbohydrate conversion was enhanced when the ash was removed by fractionation. On the other hand, the highest sugar recovery was obtained when the sludge contained 20% ash content. The pH change during enzymatic hydrolysis was influenced by ash and explained why sludge-derived hydrolysate showed lower carbohydrate conversion. Therefore, a high shear process with the increased acid amount is suggested to prohibit the negative effect of ash and enhance the accessibility of cellulase to fibers. Finally, this study highlights the feasibility of using wet waste streams generated by the paper industry.

09 BIOMASS FUELS↗

Boosting climate change mitigation potential of perennial lignocellulosic crops grown on marginal lands

Nitrogen fertilizer (N F ) is a major uncertainty surrounding the greenhouse gas (GHG) emissions of lignocellulosic biofuels. NF enhances agronomic yields and soil C inputs via plant litters, but results in soil organic carbon (SOC) decomposition, soil N 2 O fluxes, and a large fossil energy footprint. Thus, whether NF is beneficial or detrimental to the GHG mitigation of biofuels is unknown. Here, we show the potential GHG mitigation of fertilizing switchgrass (Panicum virgatum) at the NF rate that minimizes net GHG emissions across 7.1 million ha of marginal lands in the Midwest US, with long-term production advantages surpassing emitted GHG by 0.66 Mg CO 2 e ha –1 yr –1 on the aggregate. Marginal lands limited by poor N fertility could see a much greater benefit, but not SOC-rich lands, limited by low precipitation, or short growing seasons. The objectives of maximizing yield and minimizing GHG overlap only in a few environments, suggesting that maximum yield will reduce the climate benefit of cellulosic biofuels.

54 ENVIRONMENTAL SCIENCES↗

Numerical simulation of positive-potential conductors in the presence of a plasma and a secondary-emitting dielectric

A 2 1/2-dimensional, cylindrically symmetric particle in cell program is used to simulate the interaction of a plasma with a positively biased disk covered by a dielectric material (Kapton). Several runs using different combinations of bias voltages and secondary electron yields are discussed. Special attention is paid to the role of the secondaries as the dielectric surface changes from a negative potential to become increasingly positive. This is termed the 'snapover' process. The contribution due to secondaries is examined by plotting the distribution (number versus position) of the particles emitted by the impacting on the dielectric. These plots show that secondaries are drawn back into the dielectric as well as the conductor in the case of snapover. Mechanisms and experimental implications for these particular distributions are discussed.

Kessel, R. L.↗

TEA Modeling to Quantify Economic Implications for Biorefinery Processing of Isolated Anatomical Fractions of Corn Stover

The Feedstock-Conversion Interface Consortium (FCIC; https://www.energy.gov/sites/prod/files/2020/01/f70/beto-fcic-overview-web.pdf), a collaboration of nine national laboratory partners, seeks to understand impacts of feedstock attributes on biorefinery performance. It is hypothesized that different individual anatomical fractions of corn stover vary in composition and recalcitrance, such that processing each fraction on its own through dedicated campaigns may enable better biorefinery economics overall relative to processing the whole stover material. This presentation focuses on techno-economic analysis (TEA) modeling to quantify the yield and cost ramifications for processing isolated anatomical fractions of corn stover through a low-temperature conversion biorefinery, reflecting a biochemical processing pathway consisting of biomass deconstruction through pretreatment and enzymatic hydrolysis, sugar fermentation and upgrading to hydrocarbon fuels, and lignin upgrading to value-added coproducts. Commercial-scale process simulation and economic evaluation leveraged experimental and analytical data from FCIC researchers for conversion of whole corn stover plus three individual anatomical fractions (cobs, husks, and stalks) across key steps of the conversion process. Our assessment found encouraging potential for biorefinery economic gains that may be achieved through this approach. TEA results indicated fuel yields varying from 29-44 gallons gasoline equivalent (GGE)/dry ton for the individual anatomical fractions compared to whole stover at 34 GGE/ton, equating to minimum fuel selling prices (MFSPs) between $6.37-$10.18/GGE for the fractions versus $8.76/GGE for whole stover (when lignin is burned), or $9.15-$15.19/GGE for the fractions versus $13.11/GGE for whole stover (when lignin is upgraded to coproducts, based on current experimental performance levels). Cobs and husks demonstrated the ability to achieve the highest fuel yields and lowest MFSPs, outperforming whole stover, while stalks led to the opposite result, as a composite reflection of compositional differences and process convertibility. Notably, even when taking the weighted average of the results reflecting each anatomical fraction weighted by its corresponding makeup of corn stover, this feasibility TEA screening supports feedstock cost allowances on the order of roughly $22-$29/ton as may reflect accommodating additional biomass fractionation equipment during feedstock pre-processing upstream of the conversion biorefinery gate to separate corn stover into such constituent fractions. Or viewed differently, the weighted average MFSP for the fractions was found to be $0.31-$0.32/GGE lower than the MFSP for the whole stover basis across either lignin scenario, when maintaining a fixed biomass feedstock cost. These findings highlight favorable implications for biorefinery economics as may be achieved by moving to a staged campaign approach for processing different corn stover fractions sequentially. Further opportunities exist for future work to fill in data gaps for remaining anatomical constituents (e.g. leaves) that were not included in the initial experimental studies, though are expected to maintain similar trends.

biochemical processing pathway↗

Automatic Data Filter Customization Using a Genetic Algorithm

This work predicts whether a retrieval algorithm will usefully determine CO2 concentration from an input spectrum of GOSAT (Greenhouse Gases Observing Satellite). This was done to eliminate needless runtime on atmospheric soundings that would never yield useful results. A space of 50 dimensions was examined for predictive power on the final CO2 results. Retrieval algorithms are frequently expensive to run, and wasted effort defeats requirements and expends needless resources. This algorithm could be used to help predict and filter unneeded runs in any computationally expensive regime. Traditional methods such as the Fischer discriminant analysis and decision trees can attempt to predict whether a sounding will be properly processed. However, this work sought to detect a subsection of the dimensional space that can be simply filtered out to eliminate unwanted runs. LDAs (linear discriminant analyses) and other systems examine the entire data and judge a "best fit," giving equal weight to complex and problematic regions as well as simple, clear-cut regions. In this implementation, a genetic space of "left" and "right" thresholds outside of which all data are rejected was defined. These left/right pairs are created for each of the 50 input dimensions. A genetic algorithm then runs through countless potential filter settings using a JPL computer cluster, optimizing the tossed-out data s yield (proper vs. improper run removal) and number of points tossed. This solution is robust to an arbitrary decision boundary within the data and avoids the global optimization problem of whole-dataset fitting using LDA or decision trees. It filters out runs that would not have produced useful CO2 values to save needless computation. This would be an algorithmic preprocessing improvement to any computationally expensive system.

Mandrake, Lukas↗

Quantifying nitrogen loss hotspots and mitigation potential for individual fields in the US Corn Belt with a metamodeling approach

The high productivity in the US Corn Belt is largely enabled by the consumption of millions of tons of manufactured fertilizer. Excessive application of nitrogen (N) fertilizer has been pervasive in this region, and the unrecovered N eventually escaped from croplands in forms of nitrous oxide (N 2 O) emission and N leaching. Mitigating these negative impacts is hindered by a lack of practical information on where to focus and how much mitigation potential to expect. At a large scale, process-based crop models are the primary tools for predicting variables required by decision making, but their applications are prohibited by expensive computational and data storage costs. To overcome these challenges, we built a series of metamodels to learn the key mechanisms regarding the carbon (C) and N cycle from a well-validated process-based biogeochemical model, ecosys. The trained metamodel captures over 98% of the variability of the ecosys simulated outputs for 99 randomly selected counties in Iowa, Illinois, and Indiana. To identify hotspots with high mitigation potential, we introduce net societal benefit (NSB) as an indicator for synthesizing the loss in yield and social benefits through emissions and pollutants avoided. Our results show that reducing N fertilizer by 10% leads to 9.8% less N 2 O emissions and 9.6% less N leaching at the cost of 4.9% more SOC depletion and 0.6% yield reduction over the study region. The estimated total annual NSB is $\$395$ M (uncertainty ranges from $\$114$ M to $\$1271$ M), including $\$334$ from social benefits (uncertainty ranges from $\$46$ M to $\$1076$ M), $\$100$ M from saving fertilizer (uncertainty ranges from $\$13$ M to $\$455$ M), and –$\$40$ M due to yield changes (uncertainty ranges from –$\$261$ M to $\$69$ M). For the median scenario, we noted that 20% of the study area accounts for nearly 50% of the NSB, and thus represent hotspot locations for targeted mitigation. Although the uncertainty range suggests that developing such a high-resolution framework is not yet settled and the scenario based estimations are not appropriate to inform the management practices for individual farmers, our efforts shed light on the new generation of analytical tools for life cycle assessment.

54 ENVIRONMENTAL SCIENCES↗

Quantifying uncertainties in greenhouse gas savings and abatement costs with cellulosic biofuels

Cellulosic biofuels from non-food feedstocks, while appealing, continue to encounter uncertainty about their induced land use change (ILUC) effects, net greenhouse gas (GHG) saving potential and their economic costs. We analyze the implications of multiple uncertainties along the biofuel supply chain from feedstock yields, land availability for production to conversion to fuel in the refinery on these outcomes. Furthermore, we find that compared to corn ethanol, cellulosic biofuels have a substantially smaller and less uncertain ILUC-related GHG intensity and lead to larger GHG savings at lower welfare costs of abatement, indicating the potential to make robust and substantial contributions to cost-effective climate change mitigation.

09 BIOMASS FUELS↗

Demonstration of nearly pinhole-free epitaxial aluminum thin films by sputter beam epitaxy

Superconducting resonators with high quality factors have been fabricated from aluminum films, suggesting potential applications in quantum computing. Improvement of thin film crystal quality and removal of void and pinhole defects will improve quality factor and functional yield. Epitaxial aluminum films with superb crystallinity, high surface smoothness, and interface sharpness were successfully grown on the c-plane of sapphire using sputter beam epitaxy. This study assesses the effects of varying substrate preparation conditions and growth and prebake temperatures on crystallinity and smoothness. X-ray diffraction and reflectivity measurements yield extensive Laue oscillations and Kiessig thickness fringes for films grown at 200 °C under 15 mTorr Ar, indicating excellent crystallinity and surface smoothness; moreover, an additional substrate preparation procedure which involves (1) a modified substrate cleaning procedure and (2) prebake at 700 °C in 20 mTorr O 2 is shown by atomic force microscopy to yield nearly pinhole-free film growth while maintaining epitaxy and high crystal quality. The modified cleaning procedure is environmentally friendly and eliminates the acid etch steps common to conventional sapphire preparation, suggesting potential industrial application both on standard epitaxial and patterned surface sapphire substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electric dipole moments in a leptoquark scenario for the B-physics anomalies

Vector leptoquarks can address the lepton flavor universality anomalies in decays associated with the b → cℓν and b → sℓℓ transitions, as observed in recent years. While not required to explain the anomalies, these leptoquarks generically yield new sources of CP violation. In this paper, we explore constraints and discovery potential for electric dipole moments (EDMs) in leptonic and hadronic systems. We provide the most generic expressions for dipole moments induced by vector leptoquarks at one loop. We find that O(1) CP-violating phases in tau and muon couplings can lead to corresponding EDMs within reach of next-generation EDM experiments, and that existing bounds on the electron EDM already put stringent constraints on CP-violating electron couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗