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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

High expression of hexokinase domain containing 1 is associated with poor prognosis and aggressive phenotype in hepatocarcinoma

Rapid progress and metastasis remain the major treatment failure modes of hepatocarcinoma (HCC). Unfortunately, the underlying molecular mechanisms of hepatoma cell proliferation and migration are poorly understood. Metabolic abnormalities play critical roles in tumorigenesis and progression. Hexokinase domain containing 1 (HKDC1) catalyzes the phosphorylation of glucose. However, the functions and mechanisms of HKDC1 in cancer remain unknown. In this study, real-time RT-PCR and Western blotting assays were used to detect the HKDC1 expression levels in HCC tissues and cell lines. The Oncomine™ Cancer Microarray Database was applied to analysis the correlations between HKDC1 expression and HCC clinical characteristics. MTT and Transwell migration assays were performed to determine the functions of HKDC1 in HCC cells. The effect of HKDC1 on Wnt/β-catenin signaling pathway was assessed using Western blotting assay. In this study, we found that HKDC1 expression levels were elevated in HCC tissues compared with the adjacent tissues. HCC patients with high expression levels of HKDC1 had poor overall survival (OS). Furthermore, higher HKDC1 levels also predicted a worse OS of patients within solitary, elevated pre-operated serum alpha fetoprotein (AFP) level and higher tumor diameter. Moreover, silencing HKDC1 suppressed HCC cells proliferation and migration in vitro. Downregulated HKDC1 expression repressed β-Catenin and c-Myc expression, which indicates that silencing HKDC1 may reduce proliferation and migration via inhibiting the Wnt/β-catenin signaling pathway in HCC. In summary, HKDC1 provides further insight into HCC tumor progression and may provide a novel prognostic biomarker and therapeutic target for HCC treatment. -- Highlights: •HKDC1 is upregulated in HCC. •Patients with high HKDC1 expressions perform worse OS. •Silencing HKDC1 suppresses proliferation and migration. •Silencing HKDC1 represses Wnt/β-catenin signaling pathway.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

LY6/PLAUR domain containing 3 has a role in the maintenance of colorectal cancer stem-like cells

Colorectal carcinoma (CRC) is one of the most frequently diagnosed cancers and the leading cause of cancer-related death for both men and women. Recent studies have revealed that a small sub-population of cancer cells, termed cancer stem-like cells (CSCs)/cancer-initiating cells (CICs), are endowed with tumor-initiating ability, self-renewal ability and differentiation ability. CSCs/CICs are resistant to current therapies including chemotherapy and radiotherapy. Thus, CSCs/CICs are responsible for recurrence and metastasis, and eradication of CSCs/CICs is essential to cure cancer. In this study, we isolated CR-CSCs/CICs as sphere-cultured cells and found that a product derived from LY6/PLAUR domain containing 3 (LYPD3) is preferentially expressed in CSCs/CICs. Gene overexpression and gene knockdown experiments revealed that LYPD3 has a role in the maintenance of CR-CSCs/CICs. The findings provide a novel molecular insight into CR-CSCs/CICs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Human alpha beta hydrolase domain containing protein 11 and its yeast homolog are lipid hydrolases

Mammalian alpha/beta hydrolase domain (ABHD) family of proteins have emerged as key regulators of lipid metabolism and are found to be associated with human diseases. Human α/β-hydrolase domain containing protein 11 (ABHD11) has recently been predicted as a potential biomarker for human lung adenocarcinoma. In silico analyses of the ABHD11 protein sequence revealed the presence of a conserved lipase motif GXSXG. However, the role of ABHD11 in lipid metabolism is not known. To understand the biological function of ABHD11, we heterologously expressed the human ABHD11 in budding yeast, Saccharomyces cerevisiae. In vivo [{sup 14}C]acetate labeling of cellular lipids in yeast cells overexpressing ABHD11 showed a decrease in triacylglycerol content. Overexpression of ABHD11 also alters the molecular species of triacylglycerol in yeast. Similar activity was observed in its yeast homolog, Ygr031w. The role of the conserved lipase motif in the hydrolase activity was proven by the mutation of all conserved amino acid residues of GXSXG motif. Collectively, our results demonstrate that human ABHD11 and its yeast homolog YGR031W have a pivotal role in the lipid metabolism. - Highlights: • Overexpression of ABHD11 protein and its yeast homolog Ygr031w cause a reduction in triacylglycerol levels in yeast. • The reduction in triacylglycerol is due to the presence of lipase motif GXSXG. • Overexpression of ABHD11 and Ygr031w alters the molecular species of triacylglycerol.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Cleavage of molybdopterin synthase MoaD-MoaE linear fusion by JAMM/MPN+ domain containing metalloprotease DR0402 from Deinococcus radiodurans

Highlights: • D. radiodurans encodes a fused MPT synthase, MoaD-MoaE fusion protein DR2607. • JAMM/MPN{sup +} metalloprotease DR0402 (JAMM{sub DR}) can cleave the MoaD-MoaE fusion. • JAMM{sub DR} recognizes the MoaD region in the cleavage process of MoaD-MoaE fusion. Molybdenum cofactor (Moco), molybdopterin (MPT) complexed with molybdenum, is an essential cofactor required for the catalytic center of diverse enzymes in all domains of life. Since Moco cannot be taken up as a nutrient unlike many other cofactors, Moco requires de novo biosynthesis. During the synthesis of MPT, the sulfur atom on the C-terminus of MoaD is transferred to cyclic pyranopterin monophosphate (cPMP) which is bound in the substrate pocket of MoaE. MoaD is a ubiquitin-like (Ubl) protein and has a C-terminal di-Gly motif which is a common feature of Ubl proteins. Despite the importance of free C terminal di-Gly motif of MoaD as a sulfur carrier, some bacteria encode a fused MPT synthase in which MoaD- and MoaE-like domains are located on a single peptide. Although it has recently been reported that the fused MPT synthase MoaX from Mycobacterium tuberculosis is posttranslationally cleaved into functional MoaD and MoaE in M. smegmatis, the protease responsible for the cleavage of MoaD-MoaE fusion protein has remained unknown to date. Here we report that the JAMM/MPN{sup +} domain containing metalloprotease DR0402 (JAMM{sub DR}) from Deinococcus radiodurans can cleave the MoaD-MoaE fusion protein DR2607, the sole MPT synthase in D. radiodurans, generating the MoaD having a C-terminal di-Gly motif. Furthermore, JAMM{sub DR} can also cleave off the MoaD from MoaD-eGFP fusion protein suggesting that JAMM{sub DR} recognizes the MoaD region rather than MoaE region in the cleaving process of MoaD-MoaE fusion protein.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Fibronectin Type III Domain Containing 4 attenuates hyperlipidemia-induced insulin resistance via suppression of inflammation and ER stress through HO-1 expression in adipocytes

Although Fibronectin Type III Domain Containing 4 (FNDC4) has been reported to be involved in the modulation of inflammation in macrophages, its effects on inflammation and insulin resistance in adipose tissue are unknown. In the current study, we investigated the effects of FNDC4 on hyperlipidemia-mediated endoplasmic reticulum (ER) stress, inflammation, and insulin resistance in adipocytes via the AMP-activated protein kinase (AMPK)/heme oxygenase-1 (HO-1)-mediated pathway. Hyperlipidemia-induced nuclear factor κB (NFκB), inhibitory κBα (IκBα) phosphorylation, and pro-inflammatory cytokines such as TNFα and MCP-1 were markedly mitigated by FNDC4. Furthermore, FNDC4 treatment attenuated impaired insulin signaling in palmitate-treated differentiated 3T3-L1 cells and in subcutaneous adipose tissue of HFD-fed mice. FNDC4 administration ameliorated glucose intolerance and reduced HFD-induced body weight gain in mice. However, FNDC4 treatment did not affect calorie intake. Additionally, treatment with FNDC4 attenuated hyperlipidemia-induced phosphorylation or expression of ER stress markers such as IRE-1, eIF2α, and CHOP in 3T3-L1 adipocytes and in subcutaneous adipose tissue of mice. FNDC4 treatment stimulated AMPK phosphorylation and HO-1 expression in 3T3-L1 adipocytes and in subcutaneous adipose tissue of mice. siRNA-mediated suppression of AMPK and HO-1 abrogated the suppressive effects of FNDC4 on palmitate-induced ER stress, inflammation, and insulin resistance. In conclusion, our results show that FNDC4 ameliorates insulin resistance via AMPK/HO-1-mediated suppression of inflammation and ER stress, indicating that FNDC4 may be a novel therapeutic agent for treating insulin resistance and type 2 diabetes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Correlation between high expression levels of jumonji domain-containing 4 and short survival in cases of colon adenocarcinoma

Highlights: • The play an important role of JMJD4 high expression in tumorgenesis of colon adenocarcinoma. • JMJD4 protein expression in colon adenocarcinoma was associated with histological grade and M-class. • The high expression of JMJD4 was significantly related with poor survival in patients with colon adenocarcinoma. • Cox proportional-hazards model analysis indicated JMJD4 could be a prognostic indicator for overall survival. In this study, we investigated the expression of jumonji domain-containing 4 (JMJD4) in colon adenocarcinoma (CA) look for evidences for future studies on clinical diagnostic and prognostic value. The immunohistochemical (IHC) reactivity of JMJD4 was assessed in human tissue microarrays using monoclonal antibodies. An initial investigation revealed that the expression of JMJD4 protein was significantly higher in tumor tissue of the colon and liver than in normal tissue. Upon further investigation, we observed significant positivity of JMJD4 between 59 paired samples from CA tissue and adjacent normal tissue. JMJD4 protein expression in CA differed significantly according to the histological grade and M-class (distant metastasis). We also determined that the mRNA or protein expression of JMJD4 was significantly associated with poor survival in patients with CA. Finally, univariate and multivariate analysis revealed that JMJD4 expression could be a prognostic indicator for patients with CA and may provide a new target for the development of novel therapies for the treatment of CA.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Potent HIV‑1 protease inhibitors containing oxabicyclo octanol-derived P2-ligands: Design, synthesis, and X‑ray structural studies of inhibitor-HIV-1 protease complexes

Here, we describe here the design, synthesis, and X-ray structural studies of a new class of HIV-1 protease inhibitors containing 8-oxabicyclo[3.2.1]octanol-derived P2 ligands. We investigated the functional effect of these stereochemically defined fused-poly cyclic ligands on enzyme inhibition and antiviral activity in MT-2 cells. The tricyclic core of 8-oxabicyclo[3.2.1]octan-6-ol is designed to interact with the residues in the S2 subsite of HIV-1 protease. The syntheses of the ligands were carried out using the [5+2]-cycloaddition as the key step. Several inhibitors exhibited potent enzyme inhibitory activity. High resolution room-temperature X-ray structures of inhibitor-bound HIV-1 protease were determined. These structures provided important molecular insights for further design and optimization of inhibitor potency.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Solid carbon production and recovery from high temperature methane pyrolysis in bubble columns containing molten metals and molten salts

We study methane pyrolysis in a bubble column reactor consisting of a layer of molten NiBi alloy, and a molten salt layer floating on the metal layer. The molten metal is a pyrolysis catalyst; the molten salt layer is added for removing contaminants from the carbon product. Methane is introduced at the bottom of the reactor and the rising bubbles contain reactant and product gases together with metal vapor and flakes of solid carbon. When the bubbles rise through the molten salt layer the metal vapor condenses producing dense liquid metal droplets, which sink to the metal phase; the low-density carbon rises to the top of the salt layer. The carbon generated from the single-phase molten NiBi reactor has a different structure from that produced in the two-phase NiBi/salt reactor. The amount of metal in the carbon product is less than 5 wt %, in the two-phase reactor, compared to 83 wt % in the NiBi single-phase reactor. After subsequent purification steps one obtains solid carbon with less than 2 wt % salt contamination and no detectable metal contamination.

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

Hard, transparent, sp3-containing 2D phase formed from few-layer graphene under compression

Despite several theoretically proposed two-dimensional (2D) diamond structures, experimental efforts to obtain such structures are in initial stage. Recent high-pressure experiments provided significant advancements in the field, however, expected properties of a 2D-like diamond such as sp 3 content, transparency and hardness, have not been observed together in a compressed graphene system. Here, we compress few-layer graphene samples on SiO 2 /Si substrate in water and provide experimental evidence for the formation of a quenchable hard, transparent, sp 3 -containing 2D phase. Our Raman spectroscopy data indicates phase transition and a surprisingly similar critical pressure for two-, five-layer graphene and graphite in the 4e6 GPa range, as evidenced by changes in several Raman features, combined with a lack of evidence of significant pressure gradients or local non-hydrostatic stress components of the pressure medium up to ≈ 8 GPa. The new phase is transparent and hard, as evidenced from indentation marks on the SiO 2 substrate, a material considerably harder than graphene systems. Furthermore, we report the lowest critical pressure (≈ 4 GPa) in graphite, which we attribute to the role of water in facilitating the phase transition. Overall, theoretical calculations and experimental data indicate a novel, surface to- bulk phase transition mechanism that gives hint of diamondene formation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Reduction of CO2 using a Rhenium Bipyridine Complex Containing Ancillary BODIPY Redox Reservoirs

The reduction of carbon dioxide to chemical fuels such as carbon monoxide is an important challenge in the field of renewable energy conversion. Given the thermodynamic stability of carbon dioxide, it is difficult to efficiently activate this substrate in a selective fashion and the development of new electrocatalysts for CO2 reduction is of prime importance. To this end, we have prepared and studied a new fac-ReI(CO)3 complex supported by a bipyridine ligand containing ancillary BODIPY moieties ([Re(BB2)(CO)3Cl]). Voltammetry experiments revealed that this system displays a rich redox chemistry under N2, as [Re(BB2)(CO)3Cl] can be reduced by up to four electrons at modest potentials. These redox events have been characterized as the ReI/0 couple, and three ligand based reductions two of which are localized on the BODIPY units. The ability of the BB2 ligand to serve as a noninnocent redox reservoir is manifest in an enhanced electrocatalysis with CO2 as compared to an unsubstituted Re-bipyridine complex lacking BODIPY units ([Re(bpy)(CO)3Cl]). The second order rate constant for reduction of CO2 by [Re(BB2)(CO)3Cl] was measured to be k = 3400 M 1s 1 at an applied potential of 2.0 V versus SCE, which is roughly three times greater than the corresponding unsubstituted Re-bipyridine homologue. Photophysical and photochemical studies were also carried out to determine if [Re(BB2)(CO)3Cl] was a competent platform for CO2 reduction using visible light. These experiments showed that this complex supports unusual excited state dynamics that are not typically observed for fac- ReI(CO)3 complexes.

Teesdale, Justin↗
DOE OSTI2015

Double layer effects in electrocatalysis: The oxygen reduction reaction and ethanol oxidation reaction on Au(111), Pt(111) and Ir(111) in alkaline media containing Na and Li cations

Oxygen reduction and ethanol oxidation reactions were studied on Au(111), Pt(111) and Ir(111) in alkaline solutions containing sodium and/or lithium cations. By keeping the same (111) surface orientation and exploring oxophilicity trends and non-covalent interactions between OH ad and alkali metal cations (AMC n+ ), we were able to gain deep insights into the multiple roles that OH ad plays in these important electrocatalytic reactions. Cyclic voltammetry experiments revealed that OH ad formation initiates at distinct electrode potentials, governed by the oxophilicity of the specific metal surface, with further OH ad adlayer stabilization by non-covalent alkali-cation interactions and affecting the formation of a “true oxide” layer at higher electrode potentials. Although OH ad is a simple spectator for the ORR, it promotes the ethanol oxidation reaction (EOR) at lower potentials and act as spectator at high OHad coverages. By changing the alkali metal cation at the interface (Li + ) on more oxophilic surfaces, it was possible to promote the EOR even more, relative to Na + , without changing the product distribution for the reaction. This cation effect suggests that OH ad —Li + (H 2 O) x clusters can stabilize the ethoxide adlayer, thus improving the EOR activity. Finally, our results indicate the importance of the entire electrochemical interface in determining the electrocatalytic activity during reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Rare earth metal-containing ionic liquids

As an innovative tool, ionic liquids (ILs) are widely employed as an alternative, smart, reaction media (vs. traditional solvents) offering interesting technology solutions for dissolving, processing and recycling of metal-containing materials. The costly mining and refining of rare earths (RE), combined with increasing demand for high-tech and energy-related applications around the world, urgently requires effective approaches to improve the efficiency of rare earth separation and recovery. In this context, ionic liquids appear as an attractive technology solution. Finally, this paper addresses the structural and coordination chemistry of ionic liquids comprising rare earth metals with the aim to add to understanding prospects of ionic liquids in the chemistry of rare earths.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evolution of elastic and thermal properties of cementitious composites containing micro-size lightweight fillers after exposure to elevated temperature

This work studies the evolution of elastic and thermal properties of cementitious composites containing micro-size lightweight fillers after exposure to elevated temperatures (up to 800 °C). A multiscale investigation is carried out to study the thermal degradation of cementitious composite materials at multiple scale levels: at cement past level, the dehydration kinetics of cement hydrates (i.e., C–S–H, CH and aluminate hydrates) and development of microcracks are studied as functions of exposure temperatures. The damage mechanism of the inclusion phases and damages within the interfacial transition zone (ITZ) under elevated temperature are also investigated. In addition, the change of mechanical (i.e., elastic moduli, compressive strengths) and thermal (thermal conductivities) properties are measured as functions of the exposure temperature. Based on the experimental studies, a multiscale thermal degradation model is developed where the thermal degradations of cement paste (including water composition, porosity, and solid phase changes), inclusion phases, and the interfaces are captured through a multiscale sub-stepping homogenization scheme. The thermal degradation model is validated through multiple sets of experimental data. Finally, the influence of key parameters including the particle size distribution of the inclusions, the chemical composition, as well as the effects of ITZ damage are studied.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Parameters controlling early age hydration of cement pastes containing accelerators for sprayed concrete

The objective of this work is to parametrize the early age hydration behavior of accelerated cement pastes based on the chemical properties of cement and accelerators. Eight cements, three alkali-free and one alkaline accelerators were evaluated. Isothermal calorimetry, in situ XRD and SEM imaging were performed to characterize kinetics and mechanisms of hydration and the microstructure development. The reactivity of all accelerators is directly proportional to their aluminum and sulfate concentrations and to the amount and solubility of the setting regulator contained in cement. Alite hydration is enhanced if a proper C{sub 3}A/SO{sub 3} ratio (between 0.67 and 0.90) remains after accelerator addition and if limestone filler is employed, because undersulfated C{sub 3}A reactions are avoided. Combinations of compatible materials are recommended to enhance the performance of the matrix and to prevent an undesirable hydration behavior and its consequences in mechanical strength development.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mechanical properties and microscale changes of geopolymer concrete and Portland cement concrete containing micro-encapsulated phase change materials

The effect of micro-encapsulated phase change materials (MPCM) in solid and liquid states on the mechanical properties and microstructure of geopolymer and Portland cement concretes is investigated. Geopolymer concrete (GPC) and Portland cement concrete (PCC) containing different amounts of MPCM were prepared and cured at both 20 °C and 40 °C. The results revealed that the compressive strength of both GPC and PCC decreases with the addition of MPCM. Whether the PCM is in solid (20 °C) or liquid (40 °C) state did not significantly affect the mechanical properties of GPC, while melting the PCM was found to reduce the strength of PCC. X-ray tomography imaging was utilized to examine the effect of MPCM on the porosity of the samples. SEM imaging reveals that air gaps are formed between the microcapsules and the surrounding concrete matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Moisture transport and sorption in cement based materials containing slag or silica fume

This paper presents the moisture dependency of moisture transport and moisture fixation in mortars with OPC, slag and silica fume. Water vapor desorption isotherms were measured with gravimetric methods and the moisture dependency of moisture transport was investigated with cup-tests. The results show an ongoing evolution of water vapor desorption isotherms from eight months to four years. The evolution is more pronounced for mortars containing slag. The results also show that there is a significant difference in moisture dependency of the moisture transport properties above 70% relative humidity; some mortars exhibit a clear moisture dependency in moisture transport whereas others do not. At a relative humidity below 70%, the water to binder ratio is more decisive for moisture transport than the type of binder. These results are of value for service-life models, where they represent important input data, and for understanding the evolution of the microstructure at later ages.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The crystal structure of a new calcium aluminate phase containing formate

A new calcium aluminate phase containing formate ions was synthesized and its crystal structure determined. This new phase is indicated as M-phase and was firstly observed in Portland cement pastes hydrated in presence of Ca-formate and in excess of water. The crystal structure of the M-phase was successfully solved in the R-3 space group of the trigonal system on the basis of synchrotron X-ray single crystal diffraction data. The structural model was confirmed by Rietveld refinement of the powder diffraction data acquired on the synthesized pure sample. The crystal structure of the M-phase is similar to that of ettringite, being characterized by columns of AlO{sub 6} octahedra alternating with groups of three edge-sharing CaO{sub 7} polyhedra. The formate ions (HCOO){sup −} share two oxygens with Ca polyhedra and are located in the interspace between the columns. The crystal structure of the M-phase testifies the strong interaction occurring between small organic molecules as formate and the calcium aluminate components of Portland cement.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of autogenous shrinkage on microcracking and mass transport properties of concrete containing supplementary cementitious materials

It is well-known that supplementary cementitious materials (SCMs) and low water-to-binder (w/b) ratio increase autogenous shrinkage, but the impact on microcracking and long-term transport properties is less understood. This paper examines the effect of microcracking induced by autogenous shrinkage on transport properties of concretes cured up to ~3.6 years. Variables include SCM type (9% SF, 70% GGBS), w/b ratio (0.20–0.45), maximum-aggregate-size (MSA: 5–20 mm) and shrinkage reducing admixture (SRA). Oxygen diffusivity, permeability and water sorptivity were correlated with microcracks characterised using laser scanning confocal microscopy and 3D X-ray microtomography. Results show greater microcracking in mixes containing SCMs, low w/b ratio and large MSA. At the same w/b ratio and binder type, strong positive correlations are observed between transport and microcracking with increasing MSA, confirming the negative impact of autogenous shrinkage. SRA was effective in reducing these effects. The significance is compared with drying shrinkage and implications for durability are discussed.

36 MATERIALS SCIENCE↗