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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Incorporation of an Asymmetric Mo−Fe−S Cluster as an Artificial Cofactor into Nitrogenase

Abstract Nitrogenase employs a sophisticated electron transfer system and a Mo−Fe−S−C cofactor, designated the M‐cluster [(cit)MoFe 7 S 9 C]), to reduce atmospheric N 2 to bioaccessible NH 3 . Previously, we have shown that the cofactor‐free form of nitrogenase can be repurposed as a protein scaffold for the incorporation of a synthetic Fe−S cluster [Fe 6 S 9 (SEt) 2 ] 4− . Here, we demonstrate the utility of an asymmetric Mo−Fe−S cluster [Cp*MoFe 5 S 9 (SH)] 3− as an alternative artificial cofactor upon incorporation into the cofactor‐free nitrogenase scaffold. The resultant semi‐artificial enzyme catalytically reduces C 2 H 2 to C 2 H 4 , and CN − into short‐chain hydrocarbons, yet it is clearly distinct in activity from its [Fe 6 S 9 (SEt) 2 ] 4− ‐reconstituted counterpart, pointing to the possibility to employ molecular design and cluster synthesis strategies to further develop semi‐artificial or artificial systems with desired catalytic activities.

Tanifuji, Kazuki↗

DOE OSTI2014

Artificial viscosity: back to the basics

Summary In this paper, we take a different perspective on the derivation of artificial viscosity. Heretofore, the development of artificial viscosity has been based on the paper published in Journal of Applied Physics in 1950 authored by John von Neumann and Robert Richtmyer [1]. Earlier, in 1948, Richtmyer published a report at Los Alamos Scientific Laboratory documenting the original concept [2]. This report was the true origin of shock capturing methods and contains several key ideas that are conceptually different than the 1950 journal article. Unfortunately, this report (LA‐671) was classified until 1993. This has resulted in two issues: the misattribution of the invention of artificial viscosity as primarily being the work of von Neumann and the loss of the structurally different ideas in the original report. We seek to right the record of history here and use the ideas contained in Richtmyer's report to good effect in deriving a new shock viscosity. The focus of previous development has been the Hugoniot curve describing the locus of states connected by a single shock wave. Here we follow a path more focused upon the Rayleigh line, which is strongly guided by Richtmyer's line of development of the original artificial viscosity formulation. We provide an implementation of the method resulting from this perspective and computational results for simple shock problems. Copyright © 2014 John Wiley & Sons, Ltd.

Mattsson, Ann E.↗

DOE OSTI2018

Quantitative Analysis of Ca, Mg, and K in the Roots of Angelica pubescens f. biserrata by Laser-Induced Breakdown Spectroscopy Combined with Artificial Neural Networks

Laser-induced breakdown spectroscopy has been applied for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens Maxim. f. biserrata Shan et Yuan used in traditional Chinese medicine. Ca II 317.993 nm, Mg I 517.268 nm, and K I 769.896 nm spectral lines have been chosen to set up calibration models for the analysis using the external standard and artificial neural network methods. The linear correlation coefficients of the predicted concentrations versus the standard concentrations of six samples determined by the artificial neural network method are 0.9896, 0.9945, and 0.9911 for Ca, Mg, and K, respectively, which are better than for the external standard method. The artificial neural network method also gives better performance comparing with the external standard method for the average and maximum relative errors, average relative standard deviations, and most maximum relative standard deviations of the predicted concentrations of Ca, Mg, and K in the six samples. Finally, it is proved that the artificial neural network method gives better performance compared to the external standard method for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Cleavage of influenza RNA by using a human PUF-based artificial RNA-binding protein–staphylococcal nuclease hybrid

Various viruses infect animals and humans and cause a variety of diseases, including cancer. However, effective methodologies to prevent virus infection have not yet been established. Therefore, development of technologies to inactivate viruses is highly desired. We have already demonstrated that cleavage of a DNA virus genome was effective to prevent its replication. Here, we expanded this methodology to RNA viruses. In the present study, we used staphylococcal nuclease (SNase) instead of the PIN domain (PilT N-terminus) of human SMG6 as an RNA-cleavage domain and fused the SNase to a human Pumilio/fem-3 binding factor (PUF)-based artificial RNA-binding protein to construct an artificial RNA restriction enzyme with enhanced RNA-cleavage rates for influenzavirus. The resulting SNase-fusion nuclease cleaved influenza RNA at rates 120-fold greater than the corresponding PIN-fusion nuclease. The cleaving ability of the PIN-fusion nuclease was not improved even though the linker moiety between the PUF and RNA-cleavage domain was changed. Gel shift assays revealed that the RNA-binding properties of the PUF derivative used was not as good as wild type PUF. Improvement of the binding properties or the design method will allow the SNase-fusion nuclease to cleave an RNA target in mammalian animal cells and/or organisms. - Highlights: • A novel RNA restriction enzyme using SNase was developed tor cleave viral RNA. • Our enzyme cleaved influenza RNA with rates >120-fold higher rates a PIN-fusion one. • Our artificial enzyme with the L5 linker showed the highest RNA cleavage rate. • Our artificial enzyme site-selectively cleaved influenza RNA in vitro.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Nano on micro: tuning microbial metabolisms by nano-based artificial mediators to enhance and expand production of biochemicals

Advances in synthetic biology and metabolic engineering across the past few decades have enabled the successful production of many novel chemicals. However, bioproduction of such chemicals is often limited by low yield and titer due to disrupted metabolic homeostasis. Finely tuning cellular metabolism to restore robust metabolic functions entails various genetic modifications, which is often not practical. Alternatively, artificial mediators capable of tailoring microbial metabolisms open a new avenue for restoring physiological functions. In this context, nanoparticle-based artificial mediators have been pursued to tune cellular metabolisms. They can not only enhance production of molecules from endogenous metabolism, but also expand bioproducts spectrum. Here, we reviewed recent advances toward the employment of nano-based artificial mediators for the tuning of cellular metabolism, with a focus on their positive effects on electron transfer and pathway flux. Perspectives for potential applications of artificial mediators for mediating microbial metabolisms in the future were also provided.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

A space-time smooth artificial viscosity method with wavelet noise indicator and shock collision scheme, Part 2: The 2-D case

This is the second part to our companion paper. Herein, we generalize to two space dimensions the C-method developed in for adding localized, space-time smooth artificial viscosity to nonlinear systems of conservation laws that propagate shock waves, rarefaction waves, and contact discontinuities. For gas dynamics, the C-method couples the Euler equations to scalar reaction-diffusion equations, which we call C-equations, whose solutions serve as space-time smooth artificial viscosity indicators for shocks and contacts. We develop a high-order numerical algorithm for gas dynamics in 2-D which can accurately simulate the Rayleigh-Taylor (RT) instability with Kelvin-Helmholtz (KH) roll-up of the contact discontinuity, as well as shock collision and bounce-back. Solutions to our C-equations not only indicate the location of the shocks and contacts, but also track the geometry of the evolving fronts. This allows us to implement both directionally isotropic and anisotropic artificial viscosity schemes, the latter adding diffusion only in directions tangential to the evolving front. We additionally produce a novel shock collision indicator function, which naturally activates during shock collision, and then smoothly deactivates. Moreover, we implement a high-frequency 2-D wavelet-based noise detector together with an efficient and localized noise removal algorithm. To test the methodology, we use a highly simplified WENO-based discretization scheme. We provide numerical results for some classical 2-D test problems, including the RT problem, the Noh problem, a circular explosion problem from the Liska & Wendroff [13] review paper, the Sedov blast wave problem, the double Mach 10 reflection test, and a shock-wall collision problem. In particular, we show that our artificial viscosity method can eliminate the wall-heating phenomenon for the Noh problem, and thereby produce an accurate, non-oscillatory solution, even though our simplified WENO-type scheme fails to run for this problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Modeling the Effects of Artificial Drainage on Agriculture-Dominated Watersheds Using a Fully Distributed Integrated Hydrology Model

In agriculture-dominated watersheds where natural drainage is poor, agricultural ditches (narrow engineered channels) and tile drains (perforated pipes) are widely employed to enhance surface and subsurface drainage, respectively. Despite their relatively small scale, these features exert substantial control over the hydro-biogeochemical function of watersheds and their effects need to be represented in the models. We introduce a novel strategy to incorporate the effects of artificial agricultural drainage into a fully distributed basin-scale integrated surface-subsurface hydrology models. In our approach, narrow agriculture ditches for surface drainage are resolved efficiently using ditch-aligned computational meshes that are hydrologically conditioned to ensure connectivity in the stream/ditch network. For tile drainage in the subsurface, we use the physically based Hooghoudt's drainage equation as a subgrid model and route the water drained through tiles to the nearest ditch. Without site-specific calibration, this model reproduced observed streamflow in the Portage River Watershed (>1,000 km 2 ) as recorded by a USGS gauge with good accuracy (normalized KGE = 0.81) and outperformed a calibrated SWAT model (normalized KGE = 0.68). Numerical experiments confirm that artificial drainage reduces surface inundations and effectively controls the water table. At the watershed scale, artificial drainage increases baseflow but has little effect on watershed discharges above the 90th percentile. The strong physical underpinnings and reduced need for calibration allow us to study the impacts of artificial drainage on distributed hydrological response in terms of fluxes and states and provide a platform for investigating watershed-scale nutrient transport.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Potential of artificial intelligence in reducing energy and carbon emissions of commercial buildings at scale

Artificial intelligence has emerged as a technology to enhance productivity and improve life quality. However, its role in building energy efficiency and carbon emission reduction has not been systematically studied. This study evaluated artificial intelligence’s potential in the building sector, focusing on medium office buildings in the United States. A methodology was developed to assess and quantify potential emissions reductions. Key areas identified were equipment, occupancy influence, control and operation, and design and construction. Six scenarios were used to estimate energy and emissions savings across representative climate zones. Here we show that artificial intelligence could reduce cost premiums, enhancing high energy efficiency and net zero building penetration. Adopting artificial intelligence could reduce energy consumption and carbon emissions by approximately 8% to 19% in 2050. Combining with energy policy and low-carbon power generation could approximately reduce energy consumption by 40% and carbon emissions by 90% compared to business-as-usual scenarios in 2050.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Characterization of superconducting nanowire single-photon detector with artificial constrictions

Statistical studies on the performance of different superconducting nanowire single-photon detectors (SNSPDs) on one chip suggested that random constrictions existed in the nanowire that were barely registered by scanning electron microscopy. With the aid of advanced e-beam lithography, artificial geometric constrictions were fabricated on SNSPDs as well as single nanowires. In this way, we studied the influence of artificial constrictions on SNSPDs in a straight forward manner. By introducing artificial constrictions with different wire widths in single nanowires, we concluded that the dark counts of SNSPDs originate from a single constriction. Further introducing artificial constrictions in SNSPDs, we studied the relationship between detection efficiency and kinetic inductance and the bias current, confirming the hypothesis that constrictions exist in SNSPDs.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Data from: Magnetic response of brickwork artificial spin ice

Transport and MFM data of brickwork artificial spin ice composed of permalloy are included, which are reproductions of the data in an article named "Magnetic response of brickwork artificial spin ice". Transport data represent magnetic response of connected brickwork artificial spin ice, and MFM data represent how both connected and disconnected brickwork artificial spin ice react to external magnetic fields. SEM images of typical samples are included, where individual nanowire leg (island) is approximately 660 nm long and 140 nm wide with a 40 nm thickness. For the transport, each sample was measured in a longitudinal and a transverse geometry. Red curves are the 2500 Oe to -2500 Oe sweeps and the blue curves are -2500 Oe to 2500 Oe sweeps. Transport measurements were taken by using a standard 4-wire technique. Each plot was saved in pdf format.

Magnetotransport↗

DOE OSTI2016

Review of Artificial Abrasion Test Methods for PV Module Technology

This review is intended to identify the method or methods--and the basic details of those methods--that might be used to develop an artificial abrasion test. Methods used in the PV literature were compared with their closest implementation in existing standards. Also, meetings of the International PV Quality Assurance Task Force Task Group 12-3 (TG12-3, which is concerned with coated glass) were used to identify established test methods. Feedback from the group, which included many of the authors from the PV literature, included insights not explored within the literature itself. The combined experience and examples from the literature are intended to provide an assessment of the present industry practices and an informed path forward. Recommendations toward artificial abrasion test methods are then identified based on the experiences in the literature and feedback from the PV community. The review here is strictly focused on abrasion. Assessment methods, including optical performance (e.g., transmittance or reflectance), surface energy, and verification of chemical composition were not examined. Methods of artificially soiling PV modules or other specimens were not examined. The weathering of artificial or naturally soiled specimens (which may ultimately include combined temperature and humidity, thermal cycling and ultraviolet light) were also not examined. A sense of the purpose or application of an abrasion test method within the PV industry should, however, be evident from the literature.

14 SOLAR ENERGY↗

DOE OSTI2022

Optimization of artificial viscosity in production codes based on Gaussian Regression surrogate models

To accurately model flows with shock waves using staggered-grid Lagrangian hydrodynamics, artificial viscosity has to be introduced to convert kinetic energy into internal energy, thereby increasing the entropy across shocks. Determining the appropriate strength of the artificial viscosity is an art and strongly depends on the particular problem and experience of the researcher. The objective of this study is to pose the problem of finding the appropriate strength of artificial viscosity as an optimization problem and solve this problem using machine learning (ML) tools, specifically using surrogate models based on Gaussian Process regression and Bayesian analysis. We describe the optimization method and discuss various practical details of its implementation. The shock-containing problems for which we apply this method all have been implemented in the LANL code FLAG. First, we apply ML to find optimal values to isolated shock problems of different strengths. Second, we apply ML to optimize viscosity for a 1D propagating detonation problem based on Zel’dovich-von Neumann-Doring (ZND) detonation theory using a reactive burn model. We compare results for default (currently used values in FLAG) and optimized values of artificial viscosity for these problems demonstrating the potential for significant improvement in the accuracy of computations.

42 ENGINEERING↗

NASA NTRS1980

An artificial energy method for calculating flows with shocks

The artificial-viscosity method, first proposed by von Neumann and Richtmyer, introduces an artificial viscous pressure term in regions of compression such that an increase in entropy occurs in shock transition zones. The paper describes how dissipative flows can be induced by reducing the total energy available for adiabatic processes in shock zones. A class of inviscid fluid flows, called semiflows, is described in which the flows exhibit thermodynamic differences. Induced dissipative flows modify the pressure in regions of compression in a manner analogous to the artificial-viscosity method and for a gas, the effect is equivalent to suitably modifying the gas constant in the equation of state. By employing MacCormack's method and the usual non-adiabatic equations, numerical solutions of a Riemann problem are compared with the modified artificial energy method, showing that the dissipation effect predicted by the analytical formulation is reflected in the numerical method as well.

Rose, M. E.↗

NASA NTRS1994

Computed Flow Through An Artificial Heart And Valve

NASA technical memorandum discusses computations of flow of blood through artificial heart and through tilting-disk artificial heart valve. Represents further progress in research described in "Numerical Simulation of Flow Through an Artificial Heart" (ARC-12478). One purpose of research to exploit advanced techniques of computational fluid dynamics and capabilities of supercomputers to gain understanding of complicated internal flows of viscous, essentially incompressible fluids like blood. Another to use understanding to design better artificial hearts and valves.

Rogers, Stuart E.↗

NASA NTRS2007

Interactions between Artificial Gravity, Affected Physiological Systems, and Nutrition

Malnutrition, either by insufficient supply of some nutrients or by overfeeding has a profound effect on the health of an organism. Therefore, optimal nutrition is mandatory on Earth (1 g), in microgravity and also when applying artificial gravity to the human system. Immobilization like in microgravity or bed rest also has a profound effect on different physiological systems, like body fluid regulation, the cardiovascular, the musculoskeletal, the immunological system and others. Up to now there is no countermeasure available which is effective to counteract cardiovascular deconditioning (rf. Chapter 5) together with maintenance of the musculoskeletal system in a rather short period of time. Gravity seems therefore to be one of the main stimuli to keep these systems and application of certain duration of artificial gravity per day by centrifugation has often been proposed as a very potential countermeasure against the weakening of the physiological systems. Up to now, neither optimal intensity nor optimal length of application of artificial gravity has been studied sufficiently to recommend a certain, effective and efficient protocol. However, as shown in chapter 5 on cardiovascular system, in chapter 6 on the neuromuscular system and chapter 7 (bone and connective system) artificial gravity has a very high potential to counteract any degradation caused by immobilization. But, nutrient supply -which ideally should match the actual needs- will interact with these changes and therefore has also to be taken into account. It is well known that astronauts beside the Skylab missions- were and are still not optimally nourished during their stay in space (Bourland et al. 2000;Heer et al. 1995;Heer et al. 2000b;Smith et al. 1997;Smith & Lane 1999;Smith et al. 2001;Smith et al. 2005). It has also been described anecdotally that astronauts have lower appetites. One possible explanation could be altered taste and smell sensations during space flight, although in some early space flights no significant changes were found (Heidelbaugh et al. 1968;Watt et al. 1985). However, data from a recent head-down bed rest study showed significant decrease in smell sensation (Enck et al. unpublished data) suggesting that fluid shifts might have an impact. If this holds true and which has to be validated in further studies, this seems to play an important role for lowered food intake causing insufficient energy intake and subsequently insufficient supply of most of the macro- and micronutrients. Other nutrients are taken in excess, for example sodium. As it is very well known from daily food consumption especially premanufactured food with high salt content seems to be more palatable than that with low salt content. Salt also functions as preservation which is very important taking into account the space food system limitations (i.e., lack of refrigerators and freezers). The preference for food with high salt intake by astronauts might therefore very likely be caused by altered smell and taste sensations in microgravity.

Heer, Martina↗

NASA NTRS2007

Artificial Gravity: Effects on Bone Turnover

The impact of microgravity on the human body is a significant concern for space travelers. Since mechanical loading is a main reason for bone loss, artificial gravity might be an effective countermeasure to the effects of microgravity. In a 21-day 6 head-down tilt bed rest (HDBR) pilot study carried out by NASA, USA, the utility of artificial gravity (AG) as a countermeasure to immobilization-induced bone loss was tested. Blood and urine were collected before, during, and after bed rest for bone marker determinations. Bone mineral density was determined by DXA and pQCT before and after bed rest. Urinary excretion of bone resorption markers (n-telopeptide and helical peptide) were increased from pre-bed rest, but there was no difference between the control and the AG group. The same was true for serum c-telopeptide measurements. Bone formation markers were affected by bed rest and artificial gravity. While bone-specific alkaline phosphatase tended to be lower in the AG group during bed rest (p = 0.08), PINP, another bone formation marker, was significantly lower in AG subjects than CN before and during bed rest. PINP was lower during bed rest in both groups. For comparison, artificial gravity combined with ergometric exercise was tested in a 14-day HDBR study carried out in Japan (Iwase et al. J Grav Physiol 2004). In that study, an exercise regime combined with AG was able to significantly mitigate the bed rest-induced increase in the bone resorption marker deoxypyridinoline. While further study is required to more clearly differentiate bone and muscle effects, these initial data demonstrate the potential effectiveness of short-radius, intermittent AG as a countermeasure to the bone deconditioning that occurs during bed rest and spaceflight. Future studies will need to optimize not only the AG prescription (intensity and duration), but will likely need to include the use of exercise or other combined treatments.

Heer, M.↗

NASA NTRS2005

Artificial Gravity: Will it Preserve Bone Health on Long-Duration Missions?

Prolonged microgravity exposure disrupts bone, muscle, and cardiovascular homeostasis, sensory-motor coordination, immune function, and behavioral performance. Bone loss, in particular, remains a serious impediment to the success of exploration-class missions by increasing the risks of bone fracture and renal stone formation for crew members. Current countermeasures, consisting primarily of resistive and aerobic exercise, have not yet proven fully successful for preventing bone loss during long-duration spaceflight. While other bone-specific countermeasures, such as pharmacological therapy and dietary modifications, are under consideration, countermeasure approaches that simultaneously address multiple physiologic systems may be more desirable for exploration-class missions, particularly if they can provide effective protection at reduced mission resource requirements (up-mass, power, crew time, etc). The most robust of the multi-system approaches under consideration, artificial gravity (AG), could prevent all of the microgravity-related physiological changes from occurring. The potential methods for realizing an artificial gravity countermeasure are reviewed, as well as selected animal and human studies evaluating the effects of artificial gravity on bone function. Future plans for the study of the multi-system effects of artificial gravity include a joint, cooperative international effort that will systematically seek an optimal prescription for intermittent AG to preserve bone, muscle, and cardiovascular function in human subjects deconditioned by 6 degree head-down-tilt-bed rest. It is concluded that AG has great promise as a multi-system countermeasure, but that further research is required to determine the appropriate parameters for implementation of such a countermeasure for exploration-class missions.

Davis-Street, Janis↗

NASA NTRS2007

Artificial Hair Cells for Sensing Flows

The purpose of this article is to present additional information about the flow-velocity sensors described briefly in the immediately preceding article. As noted therein, these sensors can be characterized as artificial hair cells that implement an approximation of the sensory principle of flow-sensing cilia of fish: A cilium is bent by an amount proportional to the flow to which it is exposed. A nerve cell at the base of the cilium senses the flow by sensing the bending of the cilium. In an artificial hair cell, the artificial cilium is a microscopic cantilever beam, and the bending of an artificial cilium is measured by means of a strain gauge at its base (see Figure 1). Figure 2 presents cross sections of a representative sensor of this type at two different stages of its fabrication process. The process consists of relatively- low-temperature metallization, polymer-deposition, microfabrication, and surface-micromachining subprocesses, including plastic-deformation magnetic assembly (PDMA), which is described below. These subprocesses are suitable for a variety of substrate materials, including silicon, some glasses, and some polymers. Moreover, because it incorporates a polymeric supporting structure, this sensor is more robust, relative to its silicon-based counterparts.

Chen, Jack↗