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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 343 records · Page 19

Walking with the Atoms in a Chemical Bond: A Perspective Using Quantum Phase Transition

Phase transitions happen at critical values of the controlling parameters, such as the critical temperature in classical phase transitions, and system critical parameters in the quantum case. However, true criticality happens only at the thermodynamic limit, when the number of particles goes to infinity with constant density. To perform the calculations for the critical parameters, a finite-size scaling approach was developed to extrapolate information from a finite system to the thermodynamic limit. With the advancement in the experimental and theoretical work in the field of ultra-cold systems, particularly trapping and controlling single atomic and molecular systems, one can ask: do finite systems exhibit quantum phase transition? To address this question, finite-size scaling for finite systems was developed to calculate the quantum critical parameters. The recent observation of a quantum phase transition in a single trapped 171 Yb + ion indicates the possibility of quantum phase transitions in finite systems. This perspective focuses on examining chemical processes at ultra-cold temperatures, as quantum phase transitions—particularly the formation and dissociation of chemical bonds—are the basic processes for understanding the whole of chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Isolation of Histone from Sorghum Leaf Tissue for Top Down Mass Spectrometry Profiling of Potential Epigenetic Markers

Histones belong to a family of highly conserved proteins in eukaryotes. They pack DNA into nucleosomes as functional units of chromatin. Post-translational modifications (PTMs) of histones, which are highly dynamic and can be added or removed by enzymes, play critical roles in regulating gene expression. In plants, epigenetic factors including histone PTMs are related to their adaptive responses to the environment. Understanding the molecular mechanisms of epigenetic control can bring unprecedented opportunities for engineering solutions to increase the resilience of crops to climate change. Herein, we describe a protocol to isolate the nuclei and purify histones from sorghum leaf tissue. The extracted histones can be analyzed as their intact forms by top-down mass spectrometry (MS) coupled to online reversed-phase (RP) liquid chromatography (LC). Combinations and stoichiometry of multiple PTMs on the same histone proteoform can be readily identified. In addition, histone tail clipping can be detected using the top-down LC-MS workflow thus yielding the global PTM profile of core histones (H4, H2A, H2B, H3). By comparing the PTM profile among samples corresponding to different conditions (e.g. drought vs. control), potential epigenetic marks can be discovered as targets for further characterization using approaches such as chromatin immunoprecipitation – sequencing (ChIP-seq).

59 BASIC BIOLOGICAL SCIENCES↗

Light-inducible protein degradation in E. coli with the LOVdeg tag

Molecular tools for optogenetic control allow for spatial and temporal regulation of cell behavior. In particular, light-controlled protein degradation is a valuable mechanism of regulation because it can be highly modular, used in tandem with other control mechanisms, and maintain functionality throughout growth phases. Here, we engineered LOVdeg, a tag that can be appended to a protein of interest for inducible degradation in Escherichia coli using blue light. We demonstrate the modularity of LOVdeg by using it to tag a range of proteins, including the LacI repressor, CRISPRa activator, and the AcrB efflux pump. Additionally, we demonstrate the utility of pairing the LOVdeg tag with existing optogenetic tools to enhance performance by developing a combined EL222 and LOVdeg system. Finally, we use the LOVdeg tag in a metabolic engineering application to demonstrate post-translational control of metabolism. Together, our results highlight the modularity and functionality of the LOVdeg tag system and introduce a powerful new tool for bacterial optogenetics.

59 BASIC BIOLOGICAL SCIENCES↗

Light-inducible protein degradation in E. coli with the LOVdeg tag

Molecular tools for optogenetic control allow for spatial and temporal regulation of cell behavior. In particular, light-controlled protein degradation is a valuable mechanism of regulation because it can be highly modular, used in tandem with other control mechanisms, and maintain functionality throughout growth phases. Here, we engineered LOVdeg, a tag that can be appended to a protein of interest for inducible degradation in Escherichia coli using blue light. We demonstrate the modularity of LOVdeg by using it to tag a range of proteins, including the LacI repressor, CRISPRa activator, and the AcrB efflux pump. Additionally, we demonstrate the utility of pairing the LOVdeg tag with existing optogenetic tools to enhance performance by developing a combined EL222 and LOVdeg system. Finally, we use the LOVdeg tag in a metabolic engineering application to demonstrate post-translational control of metabolism. Together, our results highlight the modularity and functionality of the LOVdeg tag system and introduce a powerful new tool for bacterial optogenetics.

Tague, Nathan (ORCID:0000000281146700)↗

Four-step reaction for polytriazine elastomers

Four step imidoylamidine reaction sequence is used to make crosslinked polyperfluoralkyltriazines with superior elastomeric properties, greater molecular weight, and crosslinking control. Polymers can find useful application in fuel tank sealants, o-ring, wire enamels, pneumatic ducts, and many other applications.

Rosser, R. W.↗

Perfluoroether triazine elastomers

The synthesis of high performance elastomers with the high thermal stability and chemical, inertness of perfluoroalkylene triazine and a low glass transition temperature is discussed. Perfluorether triazine elastomers were proposed as potentially superior. It is concluded that the difficulties experienced in fluoroalkytriazine elastomer synthesis can be overcome by a four-step reaction process involving chain extension, triazine ring closure, crosslinking, and elastomer curing. Molecular weight can be controlled in the initial polymer formation so that elastomer modulus can be determined. The final product elastomers exhibit a useful elastomeric range of approximately 45 to 325 C with an oxidative stability superior to other broad range elastomers.

Korus, R. A.↗

In situ measurement of reactive neutral constituents in the thermosphere by atomic and molecular resonance fluorescence

The Tethered Satellite System in combination with in situ atomic and molecular resonance fluorescence techniques can treat the problem of simultaneously determining the absolute density of atomic and molecular species known to control the photochemical structure of the upper atmosphere. Two familities of reactants which can be treated by these techniques are the nitrogen oxygen family and the hydrogen oxygen family.

Anderson, J. G.↗

Utilization of non-conventional systems for conversion of biomass to food components: Recovery optimization and characterizations of algal proteins and lipids

Protein isolate obtained from green algae (Scenedesmus obliquus) cultivated under controlled conditions was characterized. Molecular weight determination of fractionated algal proteins using SDS-polyacrylamide gel electrophoresis revealed a wide spectrum of molecular weights ranging from 15,000 to 220,000. Isoelectric points of dissociated proteins were in the range of 3.95 to 6.20. Amino acid composition of protein isolate compared favorably with FAO standards. High content of essential amino acids leucine, valine, phenylalanine and lysine makes algal protein isolate a high quality component of closed environment life support system (CELSS) diets. To optimize the removal of algal lipids and pigments supercritical carbon dioxide extraction (with and without ethanol as a co-solvent) was used. Addition of ethanol to supercritical CO2 resulted in more efficient removal of algal lipids and produced protein isolate with a good yield and protein recovery. The protein isolate extracted by the above mixture had an improved water solubility.

Karel, M.↗

Non-conventional approaches to food processing in CELSS, 1. Algal proteins: Characterization and process optimization

Protein isolate obtained from green algae cultivated under controlled conditions was characterized. Molecular weight determination of fractionated algal proteins using SDS-polyacrylamide gel electrophoresis revealed a wide spectrum of molecular weights ranging from 15,000 to 220,000. Isoelectric points of dissociated proteins were in the range of 3.95 to 6.20. Amino acid composition of protein isolate compared favorably with FAO standards. High content of essential amino acids leucine, valine, phenylalanine and lysine make algal protein isolate a high quality component of closed ecological life support system diets. To optimize the removal of algal lipids and pigments supercritical carbon dioxide extraction (with and without ethanol as a co-solvent) was used. Addition of ethanol to supercritical carbon dioxide resulted in more efficient removal of algal lipids and produced protein isolate with a good yield and protein recovery. The protein isolate extracted by the above mixture had an improved water solubility.

Nakhost, Z.↗

Non-conventional approaches to food processing in CELSS. I - Algal proteins: Characterization and process optimization

Protein isolate obtained from green algae (Scenedesmus obliquus) cultivated under controlled conditions was characterized. Molecular weight determination of fractionated algal proteins using SDS-polyacrylamide gel electrophoresis revealed a wide spectrum of molecular weights ranging from 15,000 to 220,000. Isoelectric points of dissociated proteins were in the range of 3.95 to 6.20. Amino acid composition of protein isolate compared favorably with FAO standards. High content of essential amino acids leucine, valine, phenylalanine and lysine makes algal protein isolate a high quality component of CELSS diets. To optimize the removal of algal lipids and pigments supercritical carbon dioxide extraction (with and without ethanol as a co-solvent) was used. Addition of ethanol to supercritical CO2 resulted in more efficient removal of algal lipids and produced protein isolate with a good yield and protein recovery. The protein isolate extracted by the above mixture had an improved water solubility.

Nakhost, Z.↗

Space Tissue Loss Configuration B (STL-B)

The goal of these experiments was to determine the effect of microgravity on the early development of the fish medaka. There were two objectives for this flight series. The primary objective was to assess the effects of microgravity on different stages of development and to ascertain whether the relevant developmental questions can be addressed at the gross morphological level or if the issues involve more subtle questions about regulation at the molecular and cellular levels. The secondary objective was the assessment of the utility of flight hardware with the capabilities to perform embryological studies. We have been able to take advantage of the flight testing phase of the STL-B hardware to also study the effects of microgravity on the early development of the fish, Medaka. Our initial studies involved monitoring the early Medaka development and raising flight embryos for breeding. Images of the developing embryos were collected either via video which was either taken by the astronauts or broadcast to Earth. Sample video images were digitized and stored on a hard drive resident within the on-board STL-B unit. Embryos were fixed at specific intervals, returned to Earth and are being analyzed for the timing and location of molecular events associated with controlling the morphological pattern for the onset of adult structures.

Source record↗

Development of the Fish Medaka in Microgravity

The goal of these experiments was to determine the effect of microgravity on the early development of the fish medaka. There were two objectives for this flight series. The primary objective was to assess the effects of microgravity on different stages of development and to ascertain whether the relevant developmental questions can be addressed at the gross morphological level or if the issues involve more subtle questions about regulation at the molecular and cellular levels. The secondary objective was the assessment of the utility of flight hardware with the capabilities to perform embryological studies. We have been able to take advantage of the flight testing phase of the STL-B hardware to also study the effects of microgravity on the early development of the fish, Medaka. Our initial studies involved monitoring the early Medaka development and raising flight embryos for breeding. Images of the developing embryos were collected either via video which was either taken by the astronauts or broadcast to Earth. Sample video images were digitized and stored on a hard drive resident within the on-board STL-B unit. Embryos were fixed at specific intervals, returned to Earth and are being analyzed for the timing and location of molecular events associated with controlling the morphological pattern for the onset of adult structures.

Wolgemuth, Debra J.↗

Modified Phenylethynyl Containing Imides for Secondary Bonding: Non-Autoclave, Low Temperature Processable Adhesives

As part of a program to develop structural adhesives for high performance aerospace applications, research continued on the development of modified phenylethynyl containing imides, LaRC(trademark)MPEIs. In previous reports, the polymer properties were controlled by varying the molecular weight, the amount of branching, and the phenylethynyl content and by blending with low molecular weight materials. This research involves changing the flexibility in the copolyimide backbone of the branched, phenylethynyl terminated adhesives. These adhesives exhibit excellent processability at pressures as low as 15 psi and temperatures as low as 288 C. The Ti/Ti lap shear specimens are processable in an autoclave or a temperature programmable oven under a vacuum bag at 288-300 C without external pressure. The cured polymers exhibit high mechanical properties and excellent solvent resistance. The chemistry and properties of these adhesives are presented.

Dezern, James F.↗

U.S. Department of Energy Office of Science Biological and Environmental Research (BER) Brochure

The Biological and Environmental Research (BER) program advances fundamental research and scientific user facilities to support Department of Energy (DOE) missions in scientific discovery and innovation, energy security, and environmental responsibility. BER seeks to understand the biological, biogeochemical, and physical principles needed to predict a continuum of processes occurring across scales, from molecular and genomics-controlled mechanisms at the smallest scales to environmental and Earth system change at the largest scales.

54 ENVIRONMENTAL SCIENCES↗

The Environmental Molecular Sciences Laboratory (EMSL) 2020 Fact Sheet

EMSL, the Environmental Molecular Sciences Laboratory, is a U.S. Department of Energy (DOE) Office of Science User Facility supported by the DOE Office of Biological and Environmental Research (BER). Research at EMSL supports BER’s mission to understand the biological, biogeochemical, and physical principles needed to predict a continuum of processes occurring at the molecular and genomics-controlled smallest scales to environmental and Earth system change at the largest scales. EMSL is in Richland, WA, at Pacific Northwest National Laboratory.

54 ENVIRONMENTAL SCIENCES↗

Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations

To achieve tunable controls on the interactions of siliceous materials in subsurface environments bearing water and hydrocarbons, it is essential to determine the influence of hydrocarbon–water interfaces on the self-assembly of the silica particles. The hydrophilic silica particle have a tendency to aggregate on the water front of the interface. Self-assembly of silica nanoparticles proceeds via the migration of these nanoparticles to the water–hydrocarbon interface followed by aggregation at the interface. Fractal-like morphologies of assembled silica nanoparticles at water–hydrocarbon interfaces are observed. Rapid assembly of the hydrophilic silica nanoparticles at water–hydrocarbon interfaces corresponds to an overall reduction in the surface tension of water–toluene and water–heptane systems. These studies demonstrate the silica aggregation that is the precursor of silica polymerization, or nucleation and growth is influenced by the presence of hydrocarbons in subsurface geologic environments. These insights were derived from in operando ultrasmall and small-angle X-ray scattering (USAXS/SAXS) measurements, cryo-scanning electron microscopy (Cryo-SEM) imaging, and classical molecular dynamics simulations. As a result, these studies are intended to inform current and future efforts aimed at tuning silica reactivity in subsurface geologic environments to enhance permeability, the design and use of silica-based proppants to enhance fractures, and the development of effective strategies to control silica-based scaling behavior in subsurface reservoirs.

42 ENGINEERING↗

Spatio-temporal patterning of extensile active stresses in microtubule-based active fluids

Abstract Microtubule-based active fluids exhibit turbulent-like autonomous flows, which are driven by the molecular motor powered motion of filamentous constituents. Controlling active stresses in space and time is an essential prerequisite for controlling the intrinsically chaotic dynamics of extensile active fluids. We design single-headed kinesin molecular motors that exhibit optically enhanced clustering and thus enable precise and repeatable spatial and temporal control of extensile active stresses. Such motors enable rapid, reversible switching between flowing and quiescent states. In turn, spatio-temporal patterning of the active stress controls the evolution of the ubiquitous bend instability of extensile active fluids and determines its critical length dependence. Combining optically controlled clusters with conventional kinesin motors enables one-time switching from contractile to extensile active stresses. These results open a path towards real-time control of the autonomous flows generated by active fluids.

36 MATERIALS SCIENCE↗

Development of a molecular beam technique to study early solar system silicon reactions

Silicon monoxide is one of the major gas phase silicon bearing components observed in astronomical environments. Silicon oxide serves as the major rock forming material for terrestrial and meteoritic bodies. It is known that several gas phase reactions produce mass independent isotopic fractionations which possess the same delta(O-17)/delta(O-18) ratio observed in Allende inclusions. The general symmetry dependence of the chemically produced mass independent isotopic fractionation process suggests that there are several plausible reactions which could occur in the early solar system which may lead to production of the observed meteoritic oxygen isotopic anomalies. An important component in exploring the role of such processes is the need to experimentally determine the isotopic fractionations for specific reactions of relevance to the early solar system. It has already been demonstrated that atomic oxygen reaction with CO, a major nebular oxygen bearing species, produces a large (approximately 90 percent), mass independent isotopic fractionation. The next hurdle regarding assessing the involvement of symmetry dependent isotopic fractionation processes in the pre-solar nebula is to determine isotopic fractionation factors associated with gas phase reactions of metallic oxides. In particular, a reaction such as O + SiO yields SiO2 is a plausible nebular reaction which could produce a delta(O-17) is approximately delta(O-18) fractionation based upon molecular symmetry considerations. While the isotopic fractionations during silicate evaporation and condensation have been determined, there are no isotopic studies of controlled, gas phase nucleation processes. In order to carefully control the reaction kinetics, a molecular beam apparatus has been constructed. This system produces a supersonic, collimated beam of SiO molecules which is reacted with a second beam of oxygen atoms. An important feature of molecular beams is that they operate at sufficiently low pressures and high temperatures in the jet that avalanche nucleation and clustering processes may be avoided.

Dong, Q. W.↗