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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Flexible Electronics: Flexible Electrochemical Bioelectronics: The Rise of In Situ Bioanalysis (Adv. Mater. 15/2020)

Flexible electrochemical bioelectronics enables in situ quantification of a variety of chemical constituents present in the human body. It holds great promise for personalized health monitoring owing to its inherent wearability, high performance, and low cost. In article number 1902083, Wei Gao, Ali Javey, and co-authors summarize recent key innovations in flexible electrochemical bioelectronics from electrochemical sensing modalities, materials, systems, fabrication, to applications and discuss the challenges and opportunities in this field moving forward toward future preventive and personalized medicine devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Printed Microscopic Universal Gradient Interface for Super Stretchable Strain‐Insensitive Bioelectronics

Abstract Stretchable electronics capable of conforming to nonplanar and dynamic human body surfaces are central for creating implantable and on‐skin devices for high‐fidelity monitoring of diverse physiological signals. While various strategies have been developed to produce stretchable devices, the signals collected from such devices are often highly sensitive to local strain, resulting in inevitable convolution with surface strain‐induced motion artifacts that are difficult to distinguish from intrinsic physiological signals. Here all‐printed super stretchable strain‐insensitive bioelectronics using a unique universal gradient interface (UGI) are reported to bridge the gap between soft biomaterials and stiff electronic materials. Leveraging a versatile aerosol‐based multi‐materials printing technique that allows precise spatial control over the local stiffnesses with submicron resolution, the UGI enables strain‐insensitive electronic devices with negligible resistivity changes under a 180% uniaxial stretch ratio. Various stretchable devices are directly printed on the UGI for on‐skin health monitoring with high signal quality and near‐perfect immunity to motion artifacts, including semiconductor‐based photodetectors for sensing blood oxygen saturation levels and metal‐based temperature sensors. The concept in this work will significantly simplify the fabrication and accelerate the development of a broad range of wearable and implantable bioelectronics for real‐time health monitoring and personalized therapeutics.

Song, Kaidong [Department of Aerospace and Mechani↗
DOE OSTI2023

The hydrogen bond between tryptophan and the host molecule induced fluorescence enhancement

Abstract Tryptophan is one of important amino acids in the human body, therefore its detection is particularly important. The 3,5‐bis(4‐pyridyl)‐4‐amino‐1,2,4‐triazole (BPAT) organic molecule was designed to be used as fluorescence detectors to detect tryptophan molecules for the interaction between the host and the guest. BPAT shows good sensitivity and selectivity towards tryptophan compared with other amino acid molecules. The limit of detection obtained from formula 3δ/K SV is considered to be 5.43 × 10 −7 mol/L. We speculated that this change is mainly caused by the hydrogen bond between tryptophan and the host molecule BPAT. This conjecture was verified by the controlled experiments with other host molecules.

Yang, Xi↗
DOE OSTI2021

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↗
DOE OSTI2026

A prototype cooling blanket for mitigating occupant overheating risk in a hot indoor environment: Modeling and assessments

Conventional ways of cooling a room or an entire house for occupant thermal comfort during summer consume a significant amount of energy and are vulnerable to overheating risk during power outages that lead to loss of cooling system operations. This study investigates a low-power cooling blanket, as a Personal Cooling System (PCS), that covers the upper human body for direct cooling during a five-day heat wave in a single-family house. A modeling framework is developed for evaluating the thermal and energy performance of the cooling blanket, which builds upon the co-simulation of three models: a house energy model, a personal thermal comfort model, and a cooling blanket model. Simulation results show that under the power outage scenario, the cooling blanket can greatly reduce the occupant heat stress with a reduction of daily hours of exceedance (discomfort hours defined as TSV>2) by up to 17.2 h (a 95.3 % improvement from the baseline power outage without the blanket). The cooling blanket, equipped with an innovative electrocaloric heat pump (COP as high as 10.1) consumes 6.31 W and can be operated by a portable battery for several days. The cooling blanket consumes only 0.28 % of the electricity of a central air-conditioning system running to provide cooling for the whole house during the five-day heatwave period. The findings justify further research of electrocaloric wearable PCS as low-power effective cooling to ensure thermal survivability of occupants during extreme indoor environments.

Electrocaloric heat pump↗
DOE OSTI2020

Origin of tungsten and geochemical controls on its occurrence and mobilization in shallow sediments from Fallon, Nevada, USA

In this study, tungsten (W) occurrence and speciation was investigated in sediments collected from Fallon, Nevada where previous studies have linked elevated W levels in human body fluids to an unusual cluster of childhood leukemia cases. The speciation of sedimentary W was determined by μ-XRF mapping and μ-XANES. The W content of the analyzed surface sediments ranged between 81 and 25,908 mg/kg, which is significantly higher than the W content in deeper sediments which ranged from 37 to 373 mg/kg at 30 cm depth. The μ-XANES findings reveal that approximately 20–50% of the total W in the shallow sediment occurs in the metallic form (W 0 ); the rest occurs in the oxide form (W VI O 3 ). Because W 0 does not occur naturally, its elevated concentrations in surface sediments point toward a possible local anthropogenic origin. The oxidation of metallic W 0 with meteoric waters likely leads to the formation of W VI O 3 . The chief water-soluble W species was identified as WO 4 2– by chromatographic separation and speciation modeling. These results led us to postulate that W 0 particles from a currently unknown but local source(s) is (are) deposited onto the soils and/or surface sediments. The W 0 in interaction with meteoric water is oxidized to W VI O 3 , and as these sediment-water interactions progress, WO 4 2– is formed in the water at pH ~7. Under pH < 7, and sufficient W concentrations, tungstate tends to polymerize, and polymerized species are less likely to adsorb onto sediments. Polymerized species have lower affinity than monomers, which leads to enhanced mobility of W.

58 GEOSCIENCES↗
DOE OSTI2020

Non-invasive (non-contact) measurements of human thermal physiology signals and thermal comfort/discomfort poses -A review

Heating, ventilation and air-conditioning (HVAC) systems have been adopted to create comfortable, healthy and safe indoor environments. In the control loop, the technical feature of the human demand-oriented supply can help operate HVAC effectively. Among many technical options, real time monitoring based on feedback signals from end users has been frequently reported as a critical technology to confirm optimizing building performance. Recent studies have incorporated human thermal physiology signals and thermal comfort/discomfort status as real-time feedback signals. A series of human subject experiments used to be conducted by primarily adopting subjective questionnaire surveys in a lab-setting study, which is limited in the application for reality. With the help of advanced technologies, physiological signals have been detected, measured and processed by using multiple technical formats, such as wearable sensors. Nevertheless, they mostly require physical contacts with the skin surface in spite of the small physical dimension and compatibility with other wearable accessories, such as goggles, and intelligent bracelets. Most recently, a low cost small infrared camera has been adopted for monitoring human facial images, which could detect the facial skin temperature and blood perfusion in a contactless way. Also, according to latest pilot studies, a conventional digital camera can generate infrared images with the help of new methods, such as the Euler video magnification technology. Human thermal comfort/discomfort poses can also be detected by video methods without contacting human bodies and be analyzed by the skeleton keypoints model. Here, new sensing technologies were summarized, their cons and pros were discussed, and extended applications for the demand-oriented ventilation were also reviewed as potential development and applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Thermal coupling-decoupling mechanism of heat transfer across van der Waals interfaces in n-eicosane

Progress toward improving thermal transport properties of n-eicosane, a promising phase change material for thermal energy storage near human body temperature, is hindered by lack of a general theoretical framework to model thermal interfacial conductance (TIC) of the van der Waals (vdW) force bonded molecular interfaces, which have little compositional/structural mismatch. Combining molecular dynamics simulations at temperatures up to the melting point and a time-domain analysis of interfacial heat currents in individual molecules, we unveil that (1) the heat flux across a molecular vdW interface has an alternating coupling-decoupling pattern at the single molecule level due to thermal fluctuations, and (2) the net heat transfer during the thermally coupled periods is orders of magnitude larger than that during the thermally decoupled periods. Furthermore, we demonstrate that a vdW interface's TIC correlates almost linearly with two atomistic-scale coupling-decoupling parameters: αc and σc, that represent the duration and strength of the thermal coupling, respectively. This thermal coupling-decoupling mechanism proposes a new paradigm that explicitly accounts for the effects of structural flexibility and dynamical fluctuation on heat transfer across molecular interfaces, and will likely provide new insights into modeling thermal transport properties in a wide-ranging soft materials, including self-assembled monolayers, paraffins or lipids.

42 ENGINEERING↗
DOE OSTI2024

Subject-specific multi-scale modeling of the fate of inhaled aerosols

Determining the fate of inhaled aerosols in the respiratory system is essential in assessing the potential toxicity of inhaled airborne materials, responses to airborne pathogens, or in improving inhaled drug delivery. The availability of high-resolution clinical lung imaging and advances in the reconstruction of lung airways from CT images have led to the development of subject-specific in-silico 3D models of aerosol dosimetry, often referred to as computational fluid-particle-dynamics (CFPD) models. As CFPD models require extensive computing resources, they are typically confined to the upper and large airways. These models can be combined with lower-dimensional models to form multiscale models that predict the transport and deposition of inhaled aerosols in the entire respiratory tract. Understanding where aerosols deposit is only the first of potentially several key events necessary to predict an outcome, being a detrimental health effect or a therapeutic response. To that end, multiscale approaches that combine CFPD with physiologically-based pharmacokinetics (PBPK) models have been developed to evaluate the absorption, distribution, metabolism, and excretion (ADME) of toxic or medicinal chemicals in one or more compartments of the human body. CFPD models can also be combined with host cell dynamics (HCD) models to assess regional immune system responses. Here, this paper reviews the state of the art of these different multiscale approaches and discusses the potential role of personalized or subject-specific modeling in respiratory health.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

All-polymer nanocomposites having superior strength, toughness and ultralow energy dissipation

Toughening polymers has attracted significant interest. Traditionally, polymer toughness is enhanced by constructing polymer networks or introducing sacrificial bonds into the chains between crosslink points. These strategies, though, introduce pronounced energy dissipation and associated heat, both of which are undesirable under long-term cyclic loading, for example at the interface of implants in the human body. By incorporating single-chain nanoparticles (SCNPs) into linear polymer chains to generate all-polymer nanocomposites (APNCs), we have been able to achieve high strength, high toughness with low energy dissipation. Using a combination of simulation and experimental results, we are advancing a “SCNPs effect” where tightly cross-linked SCNPs produce a modulus contrast to achieve strengthening and toughening. Benefitting from the soft interface, the penetrable and deformable SCNPs cause the surrounding polymer chains to move in concert, significantly reducing the interfacial friction to achieve low energy dissipation. The intramolecular cross-linking of the SCNPs and adhesion between the SCNPs and polymer matrix are critical for realizing such high-performance systems. Based on a Gaussian regression model and back propagation (BP) neural network, the mechanical strength can be predicted and is supported by simulations. Finally, the APNC concept described can be applied to elastomers and gels, broadening its utilization in high-cycle and low-dissipation applications, like soft robots, flexible sensors and cartilage replacements, and artificial heart valves.

36 MATERIALS SCIENCE↗
DOE OSTI2020

IAEA Photonuclear Data Library 2019

Here, photo-induced reaction cross section data are of importance for a variety of current or emerging applications, such as radiation shielding design and radiation transport analyses, calculations of absorbed dose in the human body during radiotherapy, physics and technology of fission reactors (influence of photo-reactions on neutron balance) and fusion reactors (plasma diagnostics and shielding), activation analyses, safeguards and inspection technologies, nuclear waste transmutation, medical isotope production and astrophysical applications. To address these data needs the IAEA Photonuclear Data library was produced in 1999, containing evaluated photo-induced cross sections and neutron spectra for 164 nuclides which were deemed relevant for the applications. Since the release of the IAEA Photonuclear Data Library however, new experimental data as well as new methods to assess the reliability of experimental cross sections have become available. Theoretical models and input parameters used to evaluate photo-induced reactions have improved significantly over the years. In addition, new measurements of partial photoneutron cross sections using mono-energetic photon beams and advanced neutron detection systems have been performed allowing for the validation of the evaluations and assessments of the experimental data. Furthermore, technological advances have led to the construction of new and more powerful gamma-beam facilities, therefore new data needs are emerging. We report our coordinated efforts to address these data needs and present the results of the new up-to-date evaluations included in the new updated IAEA Photonuclear Data Library consisting of 219 nuclides. The new library includes 188 new evaluations produced by the CRP evaluators, and one evaluation taken from the JENDL/PD-2016 library, while 20 evaluations were retained from the previous 1999 IAEA Photonuclear Data Library. In most of the cases, the photon energy goes up to 200 MeV. A total of 55 nuclides are new in this library reflecting the progress in measurements but also the developing data needs. In this paper we discuss the new assessment method and make recommendations to the user community in cases where the experimental data are discrepant and the assessments disagree. In addition, in the absence of experimental data, we present model predictions for photo-induced reaction cross section on nuclides of potential interest to medical radioisotope production.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Stretchable and wearable polymeric heaters and strain sensors fabricated using liquid metals

Wearable electronic devices (WEDs) are receiving significant attention because of the increasing interest in soft robotics, electronic skin, and wearable sensors. Liquid metals (LMs) are compelling for WEDs owing to their metallic conductivity, fluidic nature, and low toxicity. For this study, we fabricated stretchable and soft WEDs using LM (eutectic gallium-indium alloy) wires (LMWs) patterned via force wetting through custom-made stencils on an elastic substrate. LMWs can generate thermal energy via Joule heating upon current application and deliver it to the substrate, resulting in wearable polymeric heaters. The LM mixed with carbonyl iron particles (CIPs) can also be patterned while preserving fluidic behavior. The degree of thermal energy generated through the LMWs can be manipulated as a function of the CIP concentration in the LM and geometrical factors of the electrode patterns, i.e., width and length. An elastic film patterned with LMWs attached to the human body exhibits changes in the effective electrical resistance depending on applied strain, demonstrating potential as a wearable strain sensor. This LM utilized WED that can generate thermal energy upon current application through the LMWs and detect the bodily motion has significant potential for application in wearable thermotherapy, electronic skin, and soft sensors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Radiative cooling and thermoregulation in the earth’s glow

Efficient passive radiative cooling of buildings requires an unimpeded view of the sky. However, vertical facades of buildings mostly see terrestrial features that become broadband-radiative heat sources in the summer and heat sinks in the winter. The resulting summertime terrestrial heat gain by buildings negates or overwhelms their narrowband longwave infrared (LWIR) radiative cooling to space, while the wintertime terrestrial heat loss causes overcooling. We show that selective LWIR emitters on vertical building facades can exploit the differential transmittance of the atmosphere toward the sky and between terrestrial objects to achieve higher summertime cooling and wintertime heating than conventionally used broadband emitters. The impact of this novel and passive thermoregulation is comparable to that of painting dark roofs white and is achievable with both novel and commonplace materials. Our findings represent new and remarkable opportunities for materials design and untapped thermoregulation of entities ranging from buildings to human bodies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Structure, Hydration, and Interactions of Native and Hydrophobically Modified Phytoglycogen Nanoparticles

Phytoglycogen is a highly branched polymer of glucose produced as soft, compact nanoparticles by sweet corn. Properties such as softness, porosity, and mechanical integrity, combined with nontoxicity and biodegradability, make phytoglycogen nanoparticles ideal for applications involving the human body, ranging from skin moisturizing and rejuvenation agents in personal care formulations to functional therapeutics in biomedicine. To further broaden the range of applications, phytoglycogen nanoparticles can be chemically modified with hydrophobic species such as octenyl succinic anhydride (OSA). In this study, we present a self-consistent model of the particle structure, water content, and degree of chemical modification of the particles, as well as the emergence of well-defined interparticle spacings in concentrated dispersions, based on small-angle neutron scattering (SANS) measurements of aqueous dispersions of native phytoglycogen nanoparticles and particles that were hydrophobically modified using octenyl succinic anhydride (OSA) in both its protiated (pOSA) and deuterated (dOSA) forms. Measurements on native particles with reduced polydispersity have allowed us to refine the particle morphology, which is well described by a hairy particle (core-chain) geometry with short chains decorating the surface of the particles. The isotopic variants of OSA-modified particles enhanced the scattering contrast for neutrons, revealing lightly modified hairy chains for small degrees of substitution (DS) of OSA, and a raspberry particle geometry for the largest DS value, where the OSA-modified hairy chains collapse to form small seeds on the surface of the particles. This refined model of native and OSA-modified phytoglycogen nanoparticles establishes a quantitative basis for the development of new applications of this promising sustainable nanotechnology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Probing a Silent Metal: A Combined X-ray Absorption and Emission Spectroscopic Study of Biologically Relevant Zinc Complexes

As the second most common transition metal in the human body, Zinc is of great interest in research but has few viable routes for its direct structural study in biological systems. Herein, Zn valence-to-core X-ray emission spectroscopy (VtC XES) and Zn K-edge X-ray absorption spectroscopy (XAS) are presented as a means to understand the local structure of zinc in biological systems through the application of these methods to a series of biologically relevant model complexes. Taken together, the Zn K-edge XAS and VtC XES provide a means to establish the ligand identity, local geometry, and metal-ligand bond lengths. Experimental results were supported by strongly correlated density-functional-theory-based calculations, which, coupled with the complementarity of the two spectroscopic approaches, further enables future applications to protein systems to be examined in a predictive fashion. In this regard, test calculations were performed to showcase the sensitivity of these techniques to realistic biological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning

Accurately predicting small molecule partitioning and hydrophobicity is critical in the drug discovery process. There are many heterogeneous chemical environments within a cell and entire human body. For example, drugs must be able to cross the hydrophobic cellular membrane to reach their intracellular targets, and hydrophobicity is an important driving force for drug–protein binding. Atomistic molecular dynamics (MD) simulations are routinely used to calculate free energies of small molecules binding to proteins, crossing lipid membranes, and solvation but are computationally expensive. Machine learning (ML) and empirical methods are also used throughout drug discovery but rely on experimental data, limiting the domain of applicability. We present atomistic MD simulations calculating 15,000 small molecule free energies of transfer from water to cyclohexane. This large data set is used to train ML models that predict the free energies of transfer. We show that a spatial graph neural network model achieves the highest accuracy, followed closely by a 3D-convolutional neural network, and shallow learning based on the chemical fingerprint is significantly less accurate. A mean absolute error of ~4 kJ/mol compared to the MD calculations was achieved for our best ML model. We also show that including data from the MD simulation improves the predictions, tests the transferability of each model to a diverse set of molecules, and show multitask learning improves the predictions. This work provides insight into the hydrophobicity of small molecules and ML cheminformatics modeling, and our data set will be useful for designing and testing future ML cheminformatics methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Fireproof, Lightweight, Polymer–Polymer Solid-State Electrolyte for Safe Lithium Batteries

Safety issues in lithium-ion batteries have raised serious concerns due to their ubiquitous utilization and close contact with the human body. Replacing flammable liquid electrolytes, solid-state electrolytes (SSEs) is thought to address this issue as well as provide unmatched energy densities in Li-based batteries. However, among the most intensively studied SSEs, polymeric solid electrolyte and polymer/ceramic composites are usually flammable, leaving the safety issue unattended. Here, we report the first design of a fireproof, ultralightweight polymer–polymer SSE. The SSE is composed of a porous mechanic enforcer (polyimide, PI), a fire-retardant additive (decabromodiphenyl ethane, DBDPE), and a ionic conductive polymer electrolyte (poly(ethylene oxide)/lithium bis(trifluoromethanesulfonyl)imide). The whole SSE is made from organic materials, with a thin, tunable thickness (10–25 μm), which endorse the energy density comparable to conventional separator/liquid electrolytes. The PI/DBDPE film is thermally stable, nonflammable, and mechanically strong, preventing Li–Li symmetrical cells from short-circuiting after more than 300 h of cycling. LiFePO 4 /Li half cells with our SSE show a high rate performance (131 mAh g –1 at 1 C) as well as cycling performance (300 cycles at C/2 rate) at 60 °C. Most intriguingly, pouch cells made with our polymer–polymer SSE still functioned well even under flame abuse tests.

25 ENERGY STORAGE↗