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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

LFA-1 and Mac-1 integrins bind to the serine/threonine-rich domain of thrombomodulin

LFA-1 (αLβ2) and Mac-1 (αMβ2) integrins regulate leukocyte trafficking in health and disease by binding primarily to IgSF ligand ICAM-1 and ICAM-2 on endothelial cells. Here we have shown that the anti-coagulant molecule thrombomodulin (TM), found on the surface of endothelial cells, functions as a potentially new ligand for leukocyte integrins. We generated a recombinant extracellular domain of human TM and Fc fusion protein (TM-domains 123-Fc), and showed that pheripheral blood mononuclear cells (PBMCs) bind to TM-domains 123-Fc dependent upon integrin activation. We then demonstrated that αL integrin-blocking mAb, αM integrin-blocking mAb, and β2 integrin-blocking mAb inhibited the binding of PBMCs to TM-domains 123-Fc. Furthermore, we show that the serine/threonine-rich domain (domain 3) of TM is required for the interaction with the LFA-1 (αLβ2) and Mac-1 (αMβ2) integrins to occur on PBMCs. These results demonstrate that the LFA-1 and Mac-1 integrins on leukocytes bind to TM, thereby establishing the molecular and structural basis underlying LFA-1 and Mac-1 integrin interaction with TM on endothelial cells. In fact, integrin-TM interactions might be involved in the dynamic regulation of leukocyte adhesion with endothelial cells. - Highlights: • LFA-1 and Mac-1 integrins bind to the anti-coagulant molecule thrombomodulin. • The serine/threonine-rich domain of thrombomodulin is essential to interact with the LFA-1 and Mac-1 integrins on PBMCs. • Integrin-TM interactions might be involved in the dynamic regulation of leukocyte adhesion with endothelial cells.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Development of cell-based assay for predictively evaluating the FcγR-mediated human immune cell activation by therapeutic monoclonal antibodies

Therapeutic monoclonal antibodies (mAbs) have important roles in treatments for various cancers and inflammatory diseases. Their highly target specificities provide controlled safety profiles. However, therapeutic mAbs commonly pose a risk of the induction of the release of cytokines, which may result in adverse events including infusion reaction and cytokine release syndrome. Several mechanisms are involved in the cytokine releases induced by therapeutic mAbs, and the activation of immune effector cells via Fcγ receptors (FcγRs) is one of the putative mechanisms for most IgG-subclass mAbs. The relationship between cytokine releases and mAbs' Fc functions is not fully understood. Here we developed a simple reporter cell-based assay for estimating the FcγR-mediated activation of human immune effector cells by mAbs. Our use of the cell-based assay to compare Fc-engineered mAbs with different FcγR-activation profiles revealed that the releases of inflammatory cytokines and chemokines from human peripheral blood mononuclear cells (hPBMCs) induced by the mAbs were elevated by treatment with Fc-engineered mAbs with higher FcγR-activation properties. Our results also suggested the involvement of monocytic effector cells in the activation of hPBMCs as sources of released cytokines and chemokines, which may lead to the immune cell-mediated adverse events. Our new reporter cell assay is a promising tool for evaluating and predicting the activation of human immune cells by novel Fc-engineered mAbs. - Highlights: • A simple reporter assay for estimating the FcγR activation by mAbs is developed. • mAbs with higher FcγR-activation properties strongly activate hPBMC. • Monocytic effector cells are involved in the activation of hPBMCs by mAbs. • The reporter assay is useful for predicting the FcγR-mediated responses of hPBMCs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Contributions of vegetation heterogeneity within tower footprint to CO 2 flux estimations through graph neural network modeling

Net ecosystem exchange of CO 2 (Fc) measured directly by eddy covariance towers is based on various assumptions, including large, flat and homogenous land cover type. In reality, often a tower site is not large enough for flux measurements, and landscapes consist of patches of different land cover types within the flux footprint. In addition, some portions of fluxes are contributed by different cover types when a footprint exceeds the size of the target ecosystem. The contributions of non-dominant patches to Fc are often ignored. Here, in this study, we propose a novel integrated modeling framework that combines random forest (RF) and XGBoost with a residual correction module based on a deep graph convolutional network (DeeperGCN) to simulate Fc for seven flux measurement sites in southwest Michigan. High-resolution remote sensing vegetation indices, soil properties, meteorological variables, and footprint-weighted spatial features were used as model inputs at three spatial resolutions (10 m, 20 m, 30 m), and their importance in predicting Fc with DeeperGCN was assessed. We found that residual correction using DeeperGCN significantly improved prediction accuracy, with the R 2 increasing from 0.9098 to 0.9479 for RF and from 0.9235 to 0.9433 for XGBoost. At site level, the maximum improvement in R 2 reached 0.1617. Paired t-tests confirmed that these improvements were statistically significant (p < 0.05). Among all predictors, leaf area index and incoming shortwave radiation emerged as the dominant drivers of spatial residual variation, followed by precipitation, relative humidity, and selected vegetation indices. The 20 m resolution yielded the best balance between model performance and computational efficiency. In conclusion, our modeling framework effectively captures both spatial heterogeneity and nonlinear interactions, offering a robust solution for spatially explicit flux modeling in structurally diverse ecosystems beyond the study sites.

footprint model↗
DOE OSTI2015

Developmental exposure to 50 parts-per-billion arsenic influences histone modifications and associated epigenetic machinery in a region- and sex-specific manner in the adult mouse brain

Epidemiological studies report that arsenic exposure via drinking water adversely impacts cognitive development in children and, in adults, can lead to greater psychiatric disease susceptibility, among other conditions. While it is known that arsenic toxicity has a profound effect on the epigenetic landscape, very few studies have investigated its effects on chromatin architecture in the brain. We have previously demonstrated that exposure to a low level of arsenic (50 ppb) during all three trimesters of fetal/neonatal development induces deficits in adult hippocampal neurogenesis in the dentate gyrus (DG), depressive-like symptoms, and alterations in gene expression in the adult mouse brain. As epigenetic processes control these outcomes, here we assess the impact of our developmental arsenic exposure (DAE) paradigm on global histone posttranslational modifications and associated chromatin-modifying proteins in the dentate gyrus and frontal cortex (FC) of adult male and female mice. DAE influenced histone 3 K4 trimethylation with increased levels in the male DG and FC and decreased levels in the female DG (no change in female FC). The histone methyltransferase MLL exhibited a similar sex- and region-specific expression profile as H3K4me3 levels, while histone demethylase KDM5B expression trended in the opposite direction. DAE increased histone 3 K9 acetylation levels in the male DG along with histone acetyltransferase (HAT) expression of GCN5 and decreased H3K9ac levels in the male FC along with decreased HAT expression of GCN5 and PCAF. DAE decreased expression of histone deacetylase enzymes HDAC1 and HDAC2, which were concurrent with increased H3K9ac levels but only in the female DG. Levels of H3 and H3K9me3 were not influenced by DAE in either brain region of either sex. These findings suggest that exposure to a low, environmentally relevant level of arsenic during development leads to long-lasting changes in histone methylation and acetylation in the adult brain due to aberrant expression of epigenetic machinery based on region and sex. - Highlights: • Brain tissue from adult mice with developmental arsenic exposure (DAE) was used. • DAE impacted histone methylation and associated methyltransferases based on sex. • DAE differentially altered histone acetylation based on brain region. • DAE altered HATs in males and HDACs in females. • Epigenetic modifier expression correlated with the associated histone modification.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Ni-Rich Li[Ni x MnyCo 1– x – y ]O 2 Single Crystals as Superior Fast Charge Cathodes for Lithium-Ion Batteries

The utilization of single-crystal (SC) Li[Ni x MnyCo 1-x-y ]O 2 (NMC) cathodes has facilitated unparalleled performance in commercial high-energy lithium-ion batteries (LIBs). In the current study, we evaluate the application of SC cathodes in fast charge (FC)-LIBs where particle cracking is a predominant failure mechanism. Ni-rich SC-NMC samples with various compositions, sizes, and shapes are synthesized and investigated for their influence on FC performance. We reveal the necessity of utilizing smaller SCs (<1 μm) as larger sizes (>2 μm) experience significant particle-level lithium concentration gradients under FC conditions. To improve lithium transport and minimize side reactivities, we strategically expose the (104) crystal facets on the surface. Exceptional performance was observed on an optimized SC-LiNi 0.80 Mn 0.05 Co 0.15 O 2 , delivering a discharge capacity of 165 mAh/g even after 150 cycles at 6C charge. Our study not only demonstrates the promise of SC-NMC but also provides the key insights for the design and optimization of advanced cathodes for FC-LIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Stable Metal–Organic Electrocatalysts for Anion-Exchange Membrane Water Electrolyzers by Defect Engineering

Developing efficient and durable catalysts for the alkaline oxygen evolution reaction (OER) is vital to achieving practical anion-exchange membrane water electrolyzers (AEMWE) for green hydrogen production. In this work, we break the activity-stability trade-off of electrocatalysis by defect engineering of Ni-based metal-organic electrocatalysts (Ni-benzene dicarboxylate; Ni-BDC) through coordinating ferrocenecarboxylates (Fc) to the metal sites. Experimental results collectively reveal that the defect MOF (Ni-BDC:Fc_5:1) exhibits a high OER turnover frequency of 0.75 O 2 s -1 at 300 mV overpotential. Operando Raman spectroscopy and isotope-labelling electrochemical mass spectrometry measurements indicate the structure of Ni-BDC:Fc_5:1 is also more stable in service than that of pure Ni-BDC. The high activity and stability could be attributed to the moderate defects (i.e., unsaturated Ni sites) in the structure that not only increase the intrinsic activity and stability of the local active environment by inhibiting lattice oxygen exchange, but also electrochemically activates the bulk of the catalysts by creating a porous network that facilitates internal H 2 O/OH - conduction with enhanced electronic conduction. Accordingly, an AEMWE employing Ni-BDC:Fc_5:1 as the OER catalyst delivers an industrial-level current density of 1 A cm -2 at 1.73 V cell and can be steadily operated for more than 120 hours.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Structural basis of omalizumab therapy and omalizumab-mediated IgE exchange

Omalizumab is a widely used therapeutic anti-IgE antibody. Here we report the crystal structure of the omalizumab–Fab in complex with an IgE-Fc fragment. This structure reveals the mechanism of omalizumab-mediated inhibition of IgE interactions with both high- and low-affinity IgE receptors, and explains why omalizumab selectively binds free IgE. The structure of the complex also provides mechanistic insight into a class of disruptive IgE inhibitors that accelerate the dissociation of the high-affinity IgE receptor from IgE. We use this structural data to generate a mutant IgE-Fc fragment that is resistant to omalizumab binding. Treatment with this omalizumab-resistant IgE-Fc fragment, in combination with omalizumab, promotes the exchange of cell-bound full-length IgE with omalizumab-resistant IgE-Fc fragments on human basophils. Furthermore, this combination treatment also blocks basophil activation more efficiently than either agent alone, providing a novel approach to probe regulatory mechanisms underlying IgE hypersensitivity with implications for therapeutic interventions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Photosynthetic responses to light levels in drought-tolerant novel peanut (Arachis hypogaea L) genotypes

Abstract Drought is a significant abiotic stressor that reduces peanut production because it alters photosynthetic activity and impacts crop growth. Therefore, developing drought-tolerant peanut genotypes capable of maintaining higher photosynthetic rates (A) under stress is crucial. This study assessed changes in photosynthetic and chlorophyll fluorescence responses to light (photosynthetic photon flux density, PPFD) in newly bred drought-tolerant peanut genotypes. Ten genotypes [NM-3, NM-5, NM-6, NM-23, NM-69, NM-70, NM-74, NM-77, V-C, and C-76–16] were evaluated under full irrigation (FC 100 ) and deficit irrigation (FC 50 ) in a split-plot design with four replications in a greenhouse. Under high PPFD levels, genotype NM-5 with deficit irrigation exhibited significantly higherA, stomatal conductance (gs), quantum efficiency of photosystem II (ΦPSII), and electron transport rate (ETR) by 40–59%, 135–525%, 31–212%, and 31–102%, respectively, than check varieties (V-C and C-76–16) and other genotypes. The NM-74 and NM-77 genotypes also performed well under deficit irrigations but with slightly lowerA,gs, ΦPSII, and ETR. Genotypes NM-5, NM-23, NM-74, and NM-77 exhibited significantly higher quantum efficiency of photosystem II (Fv’/Fm’) and photochemical quenching (qP) with higher light intensities in the daily cycle under deficit irrigation. The decline in ETR at the same PPFD levels in NM-3, NM 69, NM-70, and C-76–16 indicated photoinhibition or saturation of the photosynthetic apparatus compared to other genotypes. Concurrently, FC 100 irrigation level minimizes photoinhibition, enhancingA,gs, ΦPSII, and ETR in the genotypes than FC 50 . Therefore, we conclude that NM-5, NM-74, and NM-77 genotypes can perform better under water deficit environments. As such, chlorophyll fluorescence parameters Fv’/Fm’ and qP can be considered for selective breeding to enhance photosynthetic efficiencies.

Science & Technology - Other Topics↗
DOE OSTI2020

A mechanistic study of mesoporous TiO 2 nanoparticle negative electrode materials with varying crystallinity for lithium ion batteries

Nanoscale oxide-based negative electrodes are of great interest for lithium ion batteries due to their high energy density, power density and enhanced safety. In this work, we conducted a case study on mesoporous TiO 2 nanoparticle negative electrodes with uniform size and varying crystallinity in order to investigate the trend in the electrochemical properties of oxide-based nanoscale negative electrodes with varying crystallinity. Furthermore, mesoporous solid spherical TiO 2 nanoparticles with a uniform particle size and varying crystallinity, i.e. , amorphous TiO 2 (A-TiO 2 ), partially crystalline TiO 2 (PC-TiO 2 ) and fully crystalline TiO 2 (FC-TiO 2 ) nanoparticles were studied. At low current rate (quasi steady-state), the specific capacity of the samples drops with the decrease of crystallinity. Ex situ synchrotron pair distribution function analysis reveals that the 1D zigzag Li ion diffusion pathway becomes expanded with the increase of crystallinity, which promotes ion mobility and charge storage. At high current rates (away from equilibrium states), however, the A-TiO 2 sample demonstrates slightly larger capacity than the FC-TiO 2 sample, both of which show larger capacities than that of the PC-TiO 2 sample. Both A-TiO 2 and FC-TiO 2 samples exhibit higher capacitive contribution to the charge storage and larger Li + diffusivity than those of the PC-TiO 2 sample, which explains their better rate capability. Moreover, the larger Li + diffusivity of the A-TiO 2 sample leads to the slightly larger specific capacity than the FC-TiO 2 sample at the highest current rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Dependence of ion beam current on position of mobile plate tuner in multi-frequencies microwaves electron cyclotron resonance ion source

We are constructing a tandem-type electron cyclotron resonance ion source (ECRIS). The first stage of this can supply 2.45 GHz and 11-13 GHz microwaves to plasma chamber individually and simultaneously. We optimize the beam current I{sub FC} by the mobile plate tuner. The I{sub FC} is affected by the position of the mobile plate tuner in the chamber as like a circular cavity resonator. We aim to clarify the relation between the I{sub FC} and the ion saturation current in the ECRIS against the position of the mobile plate tuner. We obtained the result that the variation of the plasma density contributes largely to the variation of the I{sub FC} when we change the position of the mobile plate tuner.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Optimized scalable stack of fluorescent solar concentrator systems with bifacial silicon solar cells

In this paper, we present a concentrator system based on a stack of fluorescent concentrators (FCs) and a bifacial solar cell. Coupling bifacial solar cells to a stack of FCs increases the performance of the system and preserves its efficiency when scaled. We used an approach to optimize a fluorescent solar concentrator system design based on a stack of multiple fluorescent concentrators (FC). Seven individual fluorescent collectors (20 mm×20 mm×2 mm) were realized by in-situ polymerization and optically characterized in regard to their ability to guide light to the edges. Then, an optimization procedure based on the experimental data of the individual FCs was carried out to determine the stack configuration that maximizes the total number of photons leaving edges. Finally, two fluorescent concentrator systems were realized by attaching bifacial silicon solar cells to the optimized FC stacks: a conventional system, where FC were attached to one side of the solar cell as a reference, and the proposed bifacial configuration. It was found that for the same overall FC area, the bifacial configuration increases the short-circuit current by a factor of 2.2, which is also in agreement with theoretical considerations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Positive exchange bias observed in Pt-inserted Cr{sub 2}O{sub 3}/Co exchange coupled bilayers

We investigated the effect of Pt insertion on a Cr{sub 2}O{sub 3}/Co exchange coupling system. The perpendicular exchange bias μ{sub 0}H{sub ex} decreased with increasing Pt insertion layer thickness, and we observed positive μ{sub 0}H{sub ex} for samples with relatively thick Pt insertion layers. We also examined the cooling field μ{sub 0}H{sub fc} dependence of μ{sub 0}H{sub ex} for the samples. At small μ{sub 0}H{sub fc}, all samples exhibited negative μ{sub 0}H{sub ex}. With increasing μ{sub 0}H{sub fc}, a shift of μ{sub 0}H{sub ex} from negative to positive was observed. In the past, similar behaviors were observed for FeF{sub 2}/Fe systems exhibiting positive μ{sub 0}H{sub ex}. In addition, the μ{sub 0}H{sub fc} dependence of μ{sub 0}H{sub ex} was well fitted by an equation taking into account the Zeeman energy at the surface of an antiferromagnet as well as an antiferromagnetic exchange coupling. The results strongly suggest that (1) Cr{sub 2}O{sub 3} surface spin is affected by the external magnetic field and (2) the coupling at the Cr{sub 2}O{sub 3}/Pt/Co interface is antiferromagnetic.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Characterizing automotive fuel cell materials by soft x-ray scanning transmission x-ray microscopy

Proton-Exchange Membrane Fuel Cell (PEM-FC) based engines are being developed rapidly for near-term implementation in hydrogen fueled, mass production, personal automobiles. Research is focused on understanding and controlling various degradation processes (carbon corrosion, Pt migration, cold start), and reducing cost by reducing or eliminating Pt catalyst. We are using soft X-ray scanning transmission X-ray microscopy (STXM) at the S 2p, C 1s, O 1s and F 1s edges to study a variety of issues related to optimization of PEM-FC materials for automotive applications. A method to efficiently and accurately measure perfluorosulfonic acid distributions was developed and is being used to better understand how different loadings and preparation methods affect the ionomer distribution in the cathode. Progress towards an environmental cell capable of controlling the temperature and humidity of a PEM-FC sample in the STXM is described. Methods for studying the 3D chemical structure of PEM-FC are outlined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Assessing methods in fusion and fitting for time series construction in remote sensing-based earth observations

This study evaluates the comparative performance of spatiotemporal fusion and time-series fitting methods for constructing high-spatiotemporal-resolution remote sensing time-series data. Due to in-class similarity of fusion methods and fitting methods, we employ the Fit-FC (Fitting, spatial Filtering, and residual Compensation) model as a representative fusion method and the linear harmonic fitting model as a representative fitting method. Both Fit-FC and the linear harmonic fitting are widely used for high-spatiotemporal-resolution time-series data construction, and we modify the original Fit-FC model to enable automatic time-series fusion. To ensure data representativeness, we use 3 years (2019–2021) of Harmonized Landsat and Sentinel-2 surface reflectance datasets and Terra MCD43A4 products. Eight experimental regions are selected worldwide to guarantee generalization of the comparative performance between fusion and fitting methods, covering diverse land-use types (cropland, developed land, forest, and grassland) and varying climatological conditions. Time-series of NDVI and surface reflectance are analyzed under both actual observations and simulated data-missing scenarios. The constructed time-series data reveals that (1) the modified Fit-FC and linear harmonic fitting model achieve excellent performance in constructing high-resolution time-series images; (2) the fusion method outperforms the fitting method in constructing time-series of NDVI and surface reflectance images in cropland-, forest-, and grassland-dominated regions; (3) both methods achieve comparable performance in developed-dominated regions; (4) the fusion method is more robust to missing data, and better captures abrupt phenological transitions under conditions of continuous missing data; (5) the fitting method is computationally more efficient, making it suitable for large-scale time-series image reconstruction. This study provides valuable insights for selecting optimal strategies to generate high-resolution time-series images across diverse application scenarios and lays a foundation for extensions to other vegetation indices or land surface variables.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Monitoring method for neutron flux for a spallation target in an accelerator driven sub-critical system

Here in this paper, we study a monitoring method for neutron flux for the spallation target used in an accelerator driven sub-critical (ADS) system, where a spallation target located vertically at the centre of a sub-critical core is bombarded vertically by high-energy protons from an accelerator. First, by considering the characteristics in the spatial variation of neutron flux from the spallation target, we propose a multi-point measurement technique, i.e. the spallation neutron flux should be measured at multiple vertical locations. To explain why the flux should be measured at multiple locations, we have studied neutron production from a tungsten target bombarded by a 250 MeV-proton beam with Geant4-based Monte Carlo simulations. The simulation results indicate that the neutron flux at the central location is up to three orders of magnitude higher than the flux at lower locations. Secondly, we have developed an effective technique in order to measure the spallation neutron flux with a fission chamber (FC), by establishing the relation between the fission rate measured by FC and the spallation neutron flux. Since this relation is linear for a FC, a constant calibration factor is used to derive the neutron flux from the measured fission rate. This calibration factor can be extracted from the energy spectra of spallation neutrons. Finally, we have evaluated the proposed calibration method for a FC in the environment of an ADS system. The results indicate that the proposed method functions very well.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Fluorocarbon assisted atomic layer etching of SiO{sub 2} and Si using cyclic Ar/C{sub 4}F{sub 8} and Ar/CHF{sub 3} plasma

The need for atomic layer etching (ALE) is steadily increasing as smaller critical dimensions and pitches are required in device patterning. A flux-control based cyclic Ar/C{sub 4}F{sub 8} ALE based on steady-state Ar plasma in conjunction with periodic, precise C{sub 4}F{sub 8} injection and synchronized plasma-based low energy Ar{sup +} ion bombardment has been established for SiO{sub 2} [Metzler et al., J. Vac. Sci. Technol. A 32, 020603 (2014)]. In this work, the cyclic process is further characterized and extended to ALE of silicon under similar process conditions. The use of CHF{sub 3} as a precursor is examined and compared to C{sub 4}F{sub 8}. CHF{sub 3} is shown to enable selective SiO{sub 2}/Si etching using a fluorocarbon (FC) film build up. Other critical process parameters investigated are the FC film thickness deposited per cycle, the ion energy, and the etch step length. Etching behavior and mechanisms are studied using in situ real time ellipsometry and x-ray photoelectron spectroscopy. Silicon ALE shows less self-limitation than silicon oxide due to higher physical sputtering rates for the maximum ion energies used in this work, ranged from 20 to 30 eV. The surface chemistry is found to contain fluorinated silicon oxide during the etching of silicon. Plasma parameters during ALE are studied using a Langmuir probe and establish the impact of precursor addition on plasma properties.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Impact of hydrofluorocarbon molecular structure parameters on plasma etching of ultra-low-K dielectric

The authors report a systematic study aimed at evaluating the impact of molecular structure parameters of hydrofluorocarbon (HFC) precursors on plasma deposition of fluorocarbon (FC) films and etching performance of a representative ultra-low-k material, along with amorphous carbon. The precursor gases studied included fluorocarbon and hydrofluorocarbon gases whose molecular weights and chemical structures were systematically varied. Gases with three different degrees of unsaturation (DU) were examined. Trifluoromethane (CHF{sub 3}) is the only fully saturated gas that was tested. The gases with a DU value of one are 3,3,3-trifluoropropene (C{sub 3}H{sub 3}F{sub 3}), hexafluoropropene (C{sub 3}F{sub 6}), 1,1,3,3,3-pentafluoro-1-propene (C{sub 3}HF{sub 5}), (E)-1,2,3,3,3-pentafluoropropene (C{sub 3}HF{sub 5} isomer), heptafluoropropyl trifluorovinyl ether (C{sub 5}F{sub 10}O), octafluorocyclobutane (C{sub 4}F{sub 8}), and octafluoro-2-butene (C{sub 4}F{sub 8} isomer). The gases with a DU value of two includes hexafluoro-1,3-butadiene (C{sub 4}F{sub 6}), hexafluoro-2-butyne (C{sub 4}F{sub 6} isomer), octafluorocyclopentene (C{sub 5}F{sub 8}), and decafluorocyclohexene (C{sub 6}F{sub 10}). The work was performed in a dual frequency capacitively coupled plasma reactor. Real-time characterization of deposition and etching was performed using in situ ellipsometry, and optical emission spectroscopy was used for characterization of CF{sub 2} radicals in the gas phase. The chemical composition of the deposited FC films was examined by x-ray photoelectron spectroscopy. The authors found that the CF{sub 2} fraction, defined as the number of CF{sub 2} groups in a precursor molecule divided by the total number of carbon atoms in the molecule, determines the CF{sub 2} optical emission intensity of the plasma. CF{sub 2} optical emission, however, is not the dominant factor that determines HFC film deposition rates. Rather, HFC film deposition rates are determined by the number of weak bonds in the precursor molecule, which include a ring structure, C=C, C≡C, and C–H bonds. These bonds are broken preferentially in the plasma, and/or at the surface and fragments arriving at the substrate surface presumably provide dangling bonds that efficiently bond to the substrate or other fragments. Upon application of a radio-frequency bias to the substrate, substrate etching is induced. Highly polymerizing gases show decreased substrate etching rates as compared to HFC gases characterized by a lower HFC film deposition rate. This can be explained by a competition between deposition and etching reactions, and an increased energy and etchant dissipation in relatively thicker steady state FC films that form on the substrate surface. Deposited HFC films exhibit typically a high CF{sub 2} density at the film surface, which correlates with both the CF{sub 2} fractions in the precursor molecular structure and the deposition rate. The FC films deposited using hydrogen-containing precursors show higher degrees of crosslinking and lower F/C ratios than precursors without hydrogen, and exhibit a lower etch rate of substrate material. A small gap structure that blocks direct ion bombardment was used to simulate the sidewall plasma environment of a feature and was employed for in situ ellipsometry measurements. It is shown that highly polymerizing precursors with a DU of two enable protection of low-k sidewalls during plasma exposure from oxygen-related damage by protective film deposition. Dielectric film modifications are seen for precursors with a lower DU.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Altered Regional Homogeneity and Functional Connectivity during Microlesion Period after Deep Brain Stimulation in Parkinson’s Disease

Background. Patients with Parkinson’s disease (PD) undergoing deep brain electrode implantation experience a temporary improvement in motor symptoms before the electrical stimulation begins. We usually call this the microlesion effect (MLE), but the mechanism behind it is not clear. Purpose. This study aimed to assess the alterations in brain functions at the regional and whole-brain levels, using regional homogeneity (ReHo) and functional connectivity (FC), during the postoperative microlesion period after deep brain stimulation (DBS) in PD patients. Method. Resting-state functional MRI data were collected from 27 PD patients before and after the first day of DBS and 12 healthy controls (HCs) in this study. The ReHo in combination with FC analysis was used to investigate the alterations of regional brain activity in all the subjects. Results. There were increased ReHo in the basal ganglia-thalamocortical circuit (left supplementary motor area and bilateral paracentral lobule), whereas decreased ReHo in the default mode network (DMN) (left angular gyrus, bilateral precuneus), prefrontal cortex (bilateral middle frontal gyrus), and the cerebello-thalamocortical (CTC) circuit (Cerebellum_crus2/1_L) after DBS. In addition, we also found abnormal FC in the lingual gyrus, cerebellum, and DMN. Conclusion. Microlesion of the thalamus caused by electrode implantation can alter the activity of the basal ganglia-thalamocortical circuit, prefrontal cortex, DMN, and CTC circuit and induce abnormal FC in the lingual gyrus, cerebellum, prefrontal cortex, and DMN among PD patients. The findings of this study contribute to the understanding of the mechanism of MLE.

Luo, Bei↗