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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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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Materials Data on KPt by Materials Project

PtK crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent K and six equivalent Pt atoms to form distorted KK6Pt6 cuboctahedra that share corners with eighteen equivalent KK6Pt6 cuboctahedra, edges with six equivalent KK6Pt6 cuboctahedra, edges with twelve equivalent PtK6Pt6 cuboctahedra, faces with eight equivalent KK6Pt6 cuboctahedra, and faces with twelve equivalent PtK6Pt6 cuboctahedra. All K–K bond lengths are 3.00 Å. All K–Pt bond lengths are 3.19 Å. Pt is bonded to six equivalent K and six equivalent Pt atoms to form distorted PtK6Pt6 cuboctahedra that share corners with eighteen equivalent PtK6Pt6 cuboctahedra, edges with six equivalent PtK6Pt6 cuboctahedra, edges with twelve equivalent KK6Pt6 cuboctahedra, faces with eight equivalent PtK6Pt6 cuboctahedra, and faces with twelve equivalent KK6Pt6 cuboctahedra. All Pt–Pt bond lengths are 3.00 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2018

KPT-330, a potent and selective CRM1 inhibitor, exhibits anti-inflammation effects and protection against sepsis

Highlights: • KPT330 protects against LPS-induced septic mice. • KPT330 exerts anti-inflammation effects. • KPT330 inhibits LPS-induced TNF-α, IL-6 and HMGB1 production. • KPT330 suppresses activation of NF-κB and MAPK p38 signaling. Sepsis, a systemic inflammatory response caused by infection or injury, is still one of the most important causes of death in clinical patients. The ongoing search for the pathogenesis of sepsis and novel therapeutic methods are highly urgent. In this study, we hypothesized that KPT330, a potent and specific small molecule inhibitor of CRM1, could reduce inflammation and attenuate the severity of sepsis. In LPS-induced sepsis model in vivo, administration of KPT330 increased survival rate and ameliorated LPS-induced lung injury, with suppressed levels of TNF-α, IL-6 and HMGB1 in the circulation and decreased macrophage and PMN subpopulations in peritoneal cavity. In vitro investigations showed that KPT330 dose-dependently inhibited LPS-triggered proinflammatory cytokines production including TNF-α, IL-6 and HMGB1 in macrophages. Furthermore, KPT330 treatment significantly suppressed TNF-α and IL-6 mRNA expression and inhibited HMGB1 necleocytoplasmic translocation by inhibiting CRM1 distribution. Moreover, the mechanism analysis demonstrated that KPT330 exerted anti-inflammation effects by inhibiting the production of pro-inflammatory cytokines through suppressing activation of NF-κB and p38 signaling. Thus, pharmacologic stimulation of KPT330 may present a promising therapeutic strategy for sepsis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Hydro-Code Implementation and Testing of a Kinetic Phase Transition Framework

In this report we describe the Kinetic Phase Transition (KPT) framework that has been worked out over the last 10 years (from around 2014) and the implementation of it into three different codes, the one-dimensional hydro- LASLO and the three-dimensional magneto-hydro- ALEGRA, Sandia codes, via subroutines in the LAMBDA Equations of State and constitutive models package, and Flag, an arbitrary Lagrangian-Eulerian multiphysics code developed within the Lagrangian Applications project (LAP) at LANL. We discuss the introduction of phase mass (and/or volume) fractions that are needed in a code for it to be ‘phase aware’, that is, not only the thermodynamic state is known in each point but also the mixture of the materials’ phases in that point. Further we point to the need of a full Equations of State for each phase in a material to achieve phase awareness and we review the equilibrium phase model, where a phase mixture is at its lowest Gibbs free energy state, to make this point clear. Contrasting the kinetic phase transition to this equilibrium model seamlessly introduce us to the KPT framework that is subsequently thoroughly discussed. While the determination of the total state and the states and mass fractions of phases in each point is a problem that can borrow many of its numerical details from Eulerian codes and mixture of materials (not phases), the update of mass fractions with time in a KPT framework needs a new set of considerations. General for any update model is that we need to prevent mass fractions from becoming unphysical (negative or their sum to be larger than one). We have solved this problem by implementing a subdivision of the hydro time step that prevents the phase from being fully present to not present at all in one subdivided time step by limiting the size of the subdivided time step. This scheme also corrects numerical problems from abrupt changes in parameter values, the so called Gibbs phenomena, that gives rise to slushing between phases in the KPT framework. Interspersed throughout the report are discussions on different thermodynamics considerations. EOS validity windows, limitations on the EOS phase space, are needed for the KPT framework and are discussed separately and exemplified. The KPT framework described in this report has been verified by code comparison, but validation is still an active area of research. There is room for improvement in the update model, both in the model for determination of rates and in how to prevent the mass fractions from becoming unphysical. In addition, the parameters in the KPT update model and the placement of the phase boundary in the EOS phase space, and interactions with other constitutive models, are closely related and interfering with each other. One possible way forward is to simultaneously develop KPT parameters, EOS, and constitutive models for each material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

XPO1-mediated nuclear export of RNF146 protects from angiotensin II-induced endothelial cellular injury

Highlights: • RNF146 is accumulated in nucleus in response to angiotensin II. • The nuclear export of RNF146 is mediated by XPO1 in endothelial cells. • Angiotensin II-induced nuclear accumulation of RNF146 is due to the loss of XPO1 expression level. • The protective effect of RNF146 against endothelial cell injury is dependent on XPO1-mediated nuclear export. Endothelial cells death induced by angiotensin II (Ang II) plays a role in vascular injury. RNF146 is identified as a E3 ubiquitin ligase, which promotes cell survival under many types of stresses. However, the role of RNF146 in endothelial cellular injury is unknown. In human umbilical vein endothelial cells (HUVECs), Ang II treatment led to cell death by oxidative stress and promoted RNF146 to accumulate in nucleus in time dependent manner. Nuclear export signal was found in the RNF146's sequence. The interaction between RNF146 and XPO1 was further confirmed by co-immunoprecipitation. Inhibition of XPO1 with KPT-185 increased the level of RNF146 in nucleus. The expression of XPO1 was suppressed responding to Ang II treatment. Overexpression of XPO1 facilitated the nuclear shuttling of RNF146, which protected from Ang II-induced cell death. Moreover, overexpression of RNF146 in HUVECs reduced the cell death induced by Ang II, whereas inhibition of XPO1 abolished the protective effect of RNF146. Therefore, our data demonstrated that RNF146 was a protective factor against cell death induced by AngII in human endothelial cells, which was dependent on XPO1-mediated nuclear export.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Parameter study of a Kinetic Phase Transition model

We investigate the ability of the two model parameters in the Kinetic Phase Transition (KPT) model of Carl Greeff to describe phase transitions of various types when combined with the tin Equation of states for the phases, SESAME 2162. While the two parameters are correlated, one combination can be associated with the nucleation process giving rise to the hysteresis seen in phase transition paths in pressure-temperature space and another can be associated with the overall timescale of the transition. We acknowledge the desire to have a model where the parameters are more independent of each other for easier model parameter determination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗